AX24440
49661-01-0 | (E)-4-(4-Bromophenyl)-3-Methyl-4-Oxobut-2-Enoic Acid
Manufacturer: A2B Chem
CAS Number: 49661-01-0
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Catalog Number
AX24440
Chemical Name
(E)-4-(4-Bromophenyl)-3-Methyl-4-Oxobut-2-Enoic Acid
Cas Number
49661-01-0
Molecular Formula
C11H9BrO3
Molecular Weight
269.0914
Mdl Number
MFCD30472160
Smiles
O=C(c1ccc(cc1)Br)C(=CC(=O)O)C
Complexity
288
Covalently-Bonded Unit Count
1
Defined Bond Stereocenter Count
1
Heavy Atom Count
15
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
1
Rotatable Bond Count
3
Xlogp3
2.4
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Catalog Number: AX24440
Chemical Name: (E)-4-(4-Bromophenyl)-3-Methyl-4-Oxobut-2-Enoic Acid
Cas Number: 49661-01-0
Molecular Formula: C11H9BrO3
Molecular Weight: 269.0914
Mdl Number: MFCD30472160
Smiles: O=C(c1ccc(cc1)Br)C(=CC(=O)O)C
Complexity: 288
Covalently-Bonded Unit Count: 1
Defined Bond Stereocenter Count: 1
Heavy Atom Count: 15
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 1
Rotatable Bond Count: 3
Xlogp3: 2.4
Catalog Number:
AX24440
Chemical Name:
(E)-4-(4-Bromophenyl)-3-Methyl-4-Oxobut-2-Enoic Acid
Cas Number:
49661-01-0
Molecular Formula:
C11H9BrO3
Molecular Weight:
269.0914
Mdl Number:
MFCD30472160
Smiles:
O=C(c1ccc(cc1)Br)C(=CC(=O)O)C
Complexity:
288
Covalently-Bonded Unit Count:
1
Defined Bond Stereocenter Count:
1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Rotatable Bond Count:
3
Xlogp3:
2.4
Catalog Number: AX24441
Chemical Name: 5-ACetyl-2-(2-isopropyl-5-methylphenoxy) pyridine
Cas Number: 1557799-31-1
Molecular Formula: C17H19NO2
Molecular Weight: 269.3383
Mdl Number: MFCD31652828
Smiles: Cc1ccc(c(c1)Oc1ccc(cn1)C(=O)C)C(C)C
Complexity: 329
Covalently-Bonded Unit Count: 1
Defined Bond Stereocenter Count: __
Heavy Atom Count: 20
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: __
Rotatable Bond Count: 4
Xlogp3: 3.9
Catalog Number:
AX24441
Chemical Name:
5-ACetyl-2-(2-isopropyl-5-methylphenoxy) pyridine
Cas Number:
1557799-31-1
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
Mdl Number:
MFCD31652828
Smiles:
Cc1ccc(c(c1)Oc1ccc(cn1)C(=O)C)C(C)C
Complexity:
329
Covalently-Bonded Unit Count:
1
Defined Bond Stereocenter Count:
__
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
4
Xlogp3:
3.9
Catalog Number: AX24442
Chemical Name: Racemic-2-((2R,3aS,6aS)-5-(tert-butoxycarbonyl)hexahydro-2H-furo[2,3-c]pyrrol-2-yl)acetic acid
Cas Number: 1445951-51-8
Molecular Formula: C13H21NO5
Molecular Weight: 271.3095
Mdl Number: MFCD28390492
Smiles: OC(=O)C[C@@H]1O[C@H]2[C@@H](C1)CN(C2)C(=O)OC(C)(C)C
Complexity: 376
Covalently-Bonded Unit Count: 1
Defined Bond Stereocenter Count: __
Heavy Atom Count: 19
Hydrogen Bond Acceptor Count: 5
Hydrogen Bond Donor Count: 1
Rotatable Bond Count: 4
Xlogp3: 0.8
Catalog Number:
AX24442
Chemical Name:
Racemic-2-((2R,3aS,6aS)-5-(tert-butoxycarbonyl)hexahydro-2H-furo[2,3-c]pyrrol-2-yl)acetic acid
Cas Number:
1445951-51-8
Molecular Formula:
C13H21NO5
Molecular Weight:
271.3095
Mdl Number:
MFCD28390492
Smiles:
OC(=O)C[C@@H]1O[C@H]2[C@@H](C1)CN(C2)C(=O)OC(C)(C)C
Complexity:
376
Covalently-Bonded Unit Count:
1
Defined Bond Stereocenter Count:
__
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Rotatable Bond Count:
4
Xlogp3:
0.8
Catalog Number: AX24443
Chemical Name: Racemic-tert-butyl ((7R,8S)-8-hydroxy-8a-methylhexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl)carbamate
Cas Number: 2089592-38-9
Molecular Formula: C13H24N2O4
Molecular Weight: 272.3407
Mdl Number: MFCD28390347
Smiles: O=C(OC(C)(C)C)N[C@@H]1CN2C([C@H]1O)(C)COCC2
Complexity: __
Covalently-Bonded Unit Count: __
Defined Bond Stereocenter Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Hydrogen Bond Donor Count: __
Rotatable Bond Count: __
Xlogp3: __
Catalog Number:
AX24443
Chemical Name:
Racemic-tert-butyl ((7R,8S)-8-hydroxy-8a-methylhexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl)carbamate
Cas Number:
2089592-38-9
Molecular Formula:
C13H24N2O4
Molecular Weight:
272.3407
Mdl Number:
MFCD28390347
Smiles:
O=C(OC(C)(C)C)N[C@@H]1CN2C([C@H]1O)(C)COCC2
Complexity:
__
Covalently-Bonded Unit Count:
__
Defined Bond Stereocenter Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
__
Xlogp3:
__