AV18712
144850-45-3 | (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one
Manufacturer: A2B Chem
CAS Number: 144850-45-3
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Catalog Number
AV18712
Chemical Name
(E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one
Cas Number
144850-45-3
Molecular Formula
C14H16O3
Molecular Weight
232.2750
Mdl Number
MFCD00017633
Smiles
CC(C)(C)C(=O)C=CC1=CC2=C(C=C1)OCO2
Complexity
314
Covalently-Bonded Unit Count
1
Defined Bond Stereocenter Count
1
Heavy Atom Count
17
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Xlogp3
3.6
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | (E)-1-(Benzo[d][1,3]dioxol-5-yl)-4,4-dimethylpent-1-en-3-one | ChemScene | ₹ 1,23,548.64 |
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Catalog Number: AV18712
Chemical Name: (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one
Cas Number: 144850-45-3
Molecular Formula: C14H16O3
Molecular Weight: 232.2750
Mdl Number: MFCD00017633
Smiles: CC(C)(C)C(=O)C=CC1=CC2=C(C=C1)OCO2
Complexity: 314
Covalently-Bonded Unit Count: 1
Defined Bond Stereocenter Count: 1
Heavy Atom Count: 17
Hydrogen Bond Acceptor Count: 3
Rotatable Bond Count: 3
Xlogp3: 3.6
Catalog Number:
AV18712
Chemical Name:
(E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one
Cas Number:
144850-45-3
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
Mdl Number:
MFCD00017633
Smiles:
CC(C)(C)C(=O)C=CC1=CC2=C(C=C1)OCO2
Complexity:
314
Covalently-Bonded Unit Count:
1
Defined Bond Stereocenter Count:
1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Xlogp3:
3.6
Catalog Number: __
Chemical Name: __
Cas Number: __
Molecular Formula: __
Molecular Weight: __
Mdl Number: __
Smiles: COC(=O)c1cc(C)c(c(c1)C)OS(=O)(=O)C(F)(F)F
Complexity: 442
Covalently-Bonded Unit Count: __
Defined Bond Stereocenter Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Rotatable Bond Count: __
Xlogp3: 3.3
Catalog Number:
__
Chemical Name:
__
Cas Number:
__
Molecular Formula:
__
Molecular Weight:
__
Mdl Number:
__
Smiles:
COC(=O)c1cc(C)c(c(c1)C)OS(=O)(=O)C(F)(F)F
Complexity:
442
Covalently-Bonded Unit Count:
__
Defined Bond Stereocenter Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Rotatable Bond Count:
__
Xlogp3:
3.3
Catalog Number: AV18715
Chemical Name: 2-(4-fluorophenyl)-1-piperidin-1-ylethanone
Cas Number: 114373-88-5
Molecular Formula: C13H16FNO
Molecular Weight: 221.2706
Mdl Number: MFCD03576297
Smiles: O=C(N1CCCCC1)Cc1ccc(cc1)F
Complexity: 230
Covalently-Bonded Unit Count: 1
Defined Bond Stereocenter Count: __
Heavy Atom Count: 16
Hydrogen Bond Acceptor Count: 2
Rotatable Bond Count: 2
Xlogp3: 2.3
Catalog Number:
AV18715
Chemical Name:
2-(4-fluorophenyl)-1-piperidin-1-ylethanone
Cas Number:
114373-88-5
Molecular Formula:
C13H16FNO
Molecular Weight:
221.2706
Mdl Number:
MFCD03576297
Smiles:
O=C(N1CCCCC1)Cc1ccc(cc1)F
Complexity:
230
Covalently-Bonded Unit Count:
1
Defined Bond Stereocenter Count:
__
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Xlogp3:
2.3
Catalog Number: AV18716
Chemical Name: Ethyl2-oxo-2-(1H-pyrazol-4-yl)acetate
Cas Number: 869557-79-9
Molecular Formula: C7H8N2O3
Molecular Weight: 168.15
Mdl Number: MFCD16621373
Smiles: CCOC(=O)C(=O)c1cn[nH]c1
Complexity: 193
Covalently-Bonded Unit Count: 1
Defined Bond Stereocenter Count: __
Heavy Atom Count: 12
Hydrogen Bond Acceptor Count: 4
Rotatable Bond Count: 4
Xlogp3: 0.3
Catalog Number:
AV18716
Chemical Name:
Ethyl2-oxo-2-(1H-pyrazol-4-yl)acetate
Cas Number:
869557-79-9
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.15
Mdl Number:
MFCD16621373
Smiles:
CCOC(=O)C(=O)c1cn[nH]c1
Complexity:
193
Covalently-Bonded Unit Count:
1
Defined Bond Stereocenter Count:
__
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Xlogp3:
0.3