AA97481
1821-12-1 | 4-Phenylbutyric acid
Manufacturer: A2B Chem
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CatalogNumber
AA97481
ChemicalName
4-Phenylbutyric acid
CasNumber
1821-12-1
MolecularFormula
C10H12O2
MolecularWeight
164.2011
MdlNumber
MFCD00004403
Smiles
OC(=O)CCCc1ccccc1
NscNumber
295
Complexity
137
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.4
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CatalogNumber: AA97481
ChemicalName: 4-Phenylbutyric acid
CasNumber: 1821-12-1
MolecularFormula: C10H12O2
MolecularWeight: 164.2011
MdlNumber: MFCD00004403
Smiles: OC(=O)CCCc1ccccc1
NscNumber: 295
Complexity: 137
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AA97481
ChemicalName:
4-Phenylbutyric acid
CasNumber:
1821-12-1
MolecularFormula:
C10H12O2
MolecularWeight:
164.2011
MdlNumber:
MFCD00004403
Smiles:
OC(=O)CCCc1ccccc1
NscNumber:
295
Complexity:
137
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CCCC(=O)C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCC(=O)C(=O)O
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RotatableBondCount:
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MolecularFormula: __
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Smiles: C=CC[C@@](S(=O)(=O)C)(C(=O)OCc1ccccc1)C
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MolecularFormula:
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MolecularWeight:
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Smiles:
C=CC[C@@](S(=O)(=O)C)(C(=O)OCc1ccccc1)C
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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MolecularFormula: __
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Smiles: N#Cc1ccc(c(c1)[N+](=O)[O-])N[C@H](C(=O)O)Cc1ccc(cc1)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
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RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
N#Cc1ccc(c(c1)[N+](=O)[O-])N[C@H](C(=O)O)Cc1ccc(cc1)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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