AI54619
6627-91-4 | 2-(Cyanomethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI54619
ChemicalName
2-(Cyanomethyl)benzoic acid
CasNumber
6627-91-4
MolecularFormula
C9H7NO2
MolecularWeight
161.1574
MdlNumber
MFCD00020293
Smiles
N#CCc1ccccc1C(=O)O
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AI54619
ChemicalName: 2-(Cyanomethyl)benzoic acid
CasNumber: 6627-91-4
MolecularFormula: C9H7NO2
MolecularWeight: 161.1574
MdlNumber: MFCD00020293
Smiles: N#CCc1ccccc1C(=O)O
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AI54619
ChemicalName:
2-(Cyanomethyl)benzoic acid
CasNumber:
6627-91-4
MolecularFormula:
C9H7NO2
MolecularWeight:
161.1574
MdlNumber:
MFCD00020293
Smiles:
N#CCc1ccccc1C(=O)O
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Clc1ccc(c(c1)Oc1ccccc1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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__
CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
Clc1ccc(c(c1)Oc1ccccc1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(C(=O)OCC)CCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)C(C(=O)OCC)CCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(=CC1=CC=C(C=C1)NC(=O)C)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(=CC1=CC=C(C=C1)NC(=O)C)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__