AV18452
111508-26-0 | Ethyl 1-allyl-2-benzylidenehydrazinecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AV18452
ChemicalName
Ethyl 1-allyl-2-benzylidenehydrazinecarboxylate
CasNumber
111508-26-0
MolecularFormula
C13H16N2O2
MolecularWeight
232.2783
MdlNumber
MFCD28991896
Smiles
CCOC(=O)N(CC=C)/N=C/c1ccccc1
Complexity
271
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
6
UndefinedBondStereocenterCount
1
Xlogp3
2.8
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CatalogNumber: AV18452
ChemicalName: Ethyl 1-allyl-2-benzylidenehydrazinecarboxylate
CasNumber: 111508-26-0
MolecularFormula: C13H16N2O2
MolecularWeight: 232.2783
MdlNumber: MFCD28991896
Smiles: CCOC(=O)N(CC=C)/N=C/c1ccccc1
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 6
UndefinedBondStereocenterCount: 1
Xlogp3: 2.8
CatalogNumber:
AV18452
ChemicalName:
Ethyl 1-allyl-2-benzylidenehydrazinecarboxylate
CasNumber:
111508-26-0
MolecularFormula:
C13H16N2O2
MolecularWeight:
232.2783
MdlNumber:
MFCD28991896
Smiles:
CCOC(=O)N(CC=C)/N=C/c1ccccc1
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
6
UndefinedBondStereocenterCount:
1
Xlogp3:
2.8
CatalogNumber: AV18453
ChemicalName: (S)-tert-Butyl 3-oxo-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
CasNumber: 1341192-02-6
MolecularFormula: C15H23F3N2O3
MolecularWeight: 336.3499
MdlNumber: MFCD22209660
Smiles: O=C1NCC2([C@H](C1)C(F)(F)F)CCN(CC2)C(=O)OC(C)(C)C
Complexity: 477
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
RotatableBondCount: 2
UndefinedBondStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
AV18453
ChemicalName:
(S)-tert-Butyl 3-oxo-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
CasNumber:
1341192-02-6
MolecularFormula:
C15H23F3N2O3
MolecularWeight:
336.3499
MdlNumber:
MFCD22209660
Smiles:
O=C1NCC2([C@H](C1)C(F)(F)F)CCN(CC2)C(=O)OC(C)(C)C
Complexity:
477
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
RotatableBondCount:
2
UndefinedBondStereocenterCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1C[C@@H]2[C@H](C1)[C@H](CO2)C(=O)O)OC(C)(C)C
Complexity: 362
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: 0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1C[C@@H]2[C@H](C1)[C@H](CO2)C(=O)O)OC(C)(C)C
Complexity:
362
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
0.4
CatalogNumber: AV18457
ChemicalName: 4-Methylhexa-2,4-dienoic acid
CasNumber: 69804-82-6
MolecularFormula: C7H10O2
MolecularWeight: 126.1531
MdlNumber: MFCD00017401
Smiles: CC(=CC)/C=C/C(=O)O
Complexity: 154
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
UndefinedBondStereocenterCount: __
Xlogp3: 1.9
CatalogNumber:
AV18457
ChemicalName:
4-Methylhexa-2,4-dienoic acid
CasNumber:
69804-82-6
MolecularFormula:
C7H10O2
MolecularWeight:
126.1531
MdlNumber:
MFCD00017401
Smiles:
CC(=CC)/C=C/C(=O)O
Complexity:
154
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
UndefinedBondStereocenterCount:
__
Xlogp3:
1.9