AH99408
916262-56-1 | 3-(Pyridin-2-yl)butanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AH99408
ChemicalName
3-(Pyridin-2-yl)butanoic acid
CasNumber
916262-56-1
MolecularFormula
C9H11NO2
MolecularWeight
165.1891
MdlNumber
MFCD11172899
Smiles
OC(=O)CC(c1ccccn1)C
Complexity
159
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1
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CatalogNumber: AH99408
ChemicalName: 3-(Pyridin-2-yl)butanoic acid
CasNumber: 916262-56-1
MolecularFormula: C9H11NO2
MolecularWeight: 165.1891
MdlNumber: MFCD11172899
Smiles: OC(=O)CC(c1ccccn1)C
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1
CatalogNumber:
AH99408
ChemicalName:
3-(Pyridin-2-yl)butanoic acid
CasNumber:
916262-56-1
MolecularFormula:
C9H11NO2
MolecularWeight:
165.1891
MdlNumber:
MFCD11172899
Smiles:
OC(=O)CC(c1ccccn1)C
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1
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RotatableBondCount: __
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RotatableBondCount:
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Smiles: [O-][N+](=O)c1ccc(nc1)OC1CCNCC1
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HydrogenBondDonorCount: __
RotatableBondCount: __
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Xlogp3: __
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__
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MdlNumber:
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Smiles:
[O-][N+](=O)c1ccc(nc1)OC1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: CC1CCC(=O)N1Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1CCC(=O)N1Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__