AA15512
116296-30-1 | (5-Acetyl-2-methoxyphenyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AA15512
ChemicalName
(5-Acetyl-2-methoxyphenyl)acetic acid
CasNumber
116296-30-1
MolecularFormula
C11H12O4
MolecularWeight
208.2106
MdlNumber
MFCD06373492
Smiles
COc1ccc(cc1CC(=O)O)C(=O)C
Complexity
249
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1
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CatalogNumber: AA15512
ChemicalName: (5-Acetyl-2-methoxyphenyl)acetic acid
CasNumber: 116296-30-1
MolecularFormula: C11H12O4
MolecularWeight: 208.2106
MdlNumber: MFCD06373492
Smiles: COc1ccc(cc1CC(=O)O)C(=O)C
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1
CatalogNumber:
AA15512
ChemicalName:
(5-Acetyl-2-methoxyphenyl)acetic acid
CasNumber:
116296-30-1
MolecularFormula:
C11H12O4
MolecularWeight:
208.2106
MdlNumber:
MFCD06373492
Smiles:
COc1ccc(cc1CC(=O)O)C(=O)C
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])[O-])O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O.[Na+].[Na+].[Na+].O.O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])[O-])O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O.[Na+].[Na+].[Na+].O.O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: Fc1ccc2c(c1)cc(cn2)C(=O)O
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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ChemicalName:
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Smiles:
Fc1ccc2c(c1)cc(cn2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: NC(=O)c1ccc(cc1)N1CCNCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)c1ccc(cc1)N1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__