AA04672
1011-92-3 | Alpha-cyanocinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AA04672
ChemicalName
Alpha-cyanocinnamic acid
CasNumber
1011-92-3
MolecularFormula
C10H7NO2
MolecularWeight
173.1681
MdlNumber
MFCD00016813
Smiles
N#CC(=Cc1ccccc1)C(=O)O
Complexity
266
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedBondStereocenterCount
1
Xlogp3
2.2
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CatalogNumber: AA04672
ChemicalName: Alpha-cyanocinnamic acid
CasNumber: 1011-92-3
MolecularFormula: C10H7NO2
MolecularWeight: 173.1681
MdlNumber: MFCD00016813
Smiles: N#CC(=Cc1ccccc1)C(=O)O
Complexity: 266
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedBondStereocenterCount: 1
Xlogp3: 2.2
CatalogNumber:
AA04672
ChemicalName:
Alpha-cyanocinnamic acid
CasNumber:
1011-92-3
MolecularFormula:
C10H7NO2
MolecularWeight:
173.1681
MdlNumber:
MFCD00016813
Smiles:
N#CC(=Cc1ccccc1)C(=O)O
Complexity:
266
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedBondStereocenterCount:
1
Xlogp3:
2.2
CatalogNumber: AA04673
ChemicalName: Cis-4-(methoxycarbonyl)cyclohexanecarboxylic acid
CasNumber: 1011-85-4
MolecularFormula: C9H14O4
MolecularWeight: 186.20506000000003
MdlNumber: MFCD01311246
Smiles: COC(=O)[C@@H]1CC[C@@H](CC1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
CatalogNumber:
AA04673
ChemicalName:
Cis-4-(methoxycarbonyl)cyclohexanecarboxylic acid
CasNumber:
1011-85-4
MolecularFormula:
C9H14O4
MolecularWeight:
186.20506000000003
MdlNumber:
MFCD01311246
Smiles:
COC(=O)[C@@H]1CC[C@@H](CC1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ON=C(c1ccc(cc1)[N+](=O)[O-])Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ON=C(c1ccc(cc1)[N+](=O)[O-])Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(c1ccc(c(c1)OC)O)O.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC(c1ccc(c(c1)OC)O)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__