AI47344
3153-44-4 | 3-(4-Methoxybenzoyl)propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AI47344
ChemicalName
3-(4-Methoxybenzoyl)propionic acid
CasNumber
3153-44-4
MolecularFormula
C11H12O4
MolecularWeight
208.2106
MdlNumber
MFCD00002795
Smiles
COc1ccc(cc1)C(=O)CCC(=O)O
NscNumber
12472
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.4
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CatalogNumber: AI47344
ChemicalName: 3-(4-Methoxybenzoyl)propionic acid
CasNumber: 3153-44-4
MolecularFormula: C11H12O4
MolecularWeight: 208.2106
MdlNumber: MFCD00002795
Smiles: COc1ccc(cc1)C(=O)CCC(=O)O
NscNumber: 12472
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.4
CatalogNumber:
AI47344
ChemicalName:
3-(4-Methoxybenzoyl)propionic acid
CasNumber:
3153-44-4
MolecularFormula:
C11H12O4
MolecularWeight:
208.2106
MdlNumber:
MFCD00002795
Smiles:
COc1ccc(cc1)C(=O)CCC(=O)O
NscNumber:
12472
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.4
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Smiles: CC(C)C(C(=O)OC)NC=O
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Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC(C)C(C(=O)OC)NC=O
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Smiles: C[C@H]1CC(=O)NC1
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Smiles:
C[C@H]1CC(=O)NC1
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: OCc1cc(=O)[nH]c(=S)[nH]1
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Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1cc(=O)[nH]c(=S)[nH]1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__