AA75407
1501-05-9 | 4-Benzoylbutyric acid
Manufacturer: A2B Chem
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CatalogNumber
AA75407
ChemicalName
4-Benzoylbutyric acid
CasNumber
1501-05-9
MolecularFormula
C11H12O3
MolecularWeight
192.2112
MdlNumber
MFCD00004411
Smiles
O=C(c1ccccc1)CCCC(=O)O
NscNumber
10139
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.7
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CatalogNumber: AA75407
ChemicalName: 4-Benzoylbutyric acid
CasNumber: 1501-05-9
MolecularFormula: C11H12O3
MolecularWeight: 192.2112
MdlNumber: MFCD00004411
Smiles: O=C(c1ccccc1)CCCC(=O)O
NscNumber: 10139
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.7
CatalogNumber:
AA75407
ChemicalName:
4-Benzoylbutyric acid
CasNumber:
1501-05-9
MolecularFormula:
C11H12O3
MolecularWeight:
192.2112
MdlNumber:
MFCD00004411
Smiles:
O=C(c1ccccc1)CCCC(=O)O
NscNumber:
10139
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CCCC(=O)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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MolecularWeight:
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Smiles:
COC(=O)CCCC(=O)c1ccccc1
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: CC(c1ccc(cc1)C1CCCNC1)O
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Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC(c1ccc(cc1)C1CCCNC1)O
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: N#Cc1c(Br)ccc(c1F)C
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1c(Br)ccc(c1F)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__