AE98157
18664-39-6 | 3-(4-Cyanophenyl)acrylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE98157
ChemicalName
3-(4-Cyanophenyl)acrylic acid
CasNumber
18664-39-6
MolecularFormula
C10H7NO2
MolecularWeight
173.1681
MdlNumber
MFCD00016845
Smiles
N#Cc1ccc(cc1)C=CC(=O)O
NscNumber
134574
Complexity
253
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.5
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CatalogNumber: AE98157
ChemicalName: 3-(4-Cyanophenyl)acrylic acid
CasNumber: 18664-39-6
MolecularFormula: C10H7NO2
MolecularWeight: 173.1681
MdlNumber: MFCD00016845
Smiles: N#Cc1ccc(cc1)C=CC(=O)O
NscNumber: 134574
Complexity: 253
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AE98157
ChemicalName:
3-(4-Cyanophenyl)acrylic acid
CasNumber:
18664-39-6
MolecularFormula:
C10H7NO2
MolecularWeight:
173.1681
MdlNumber:
MFCD00016845
Smiles:
N#Cc1ccc(cc1)C=CC(=O)O
NscNumber:
134574
Complexity:
253
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: C[C@@H](c1c2ccccc2cc2c1cccc2)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
C[C@@H](c1c2ccccc2cc2c1cccc2)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1O[13CH2][C@H]([C@H](C1)O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC1O[13CH2][C@H]([C@H](C1)O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(c1ccco1)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(c1ccco1)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__