AB15069
1885-13-8 | 4-Methoxyphthalic acid
Manufacturer: A2B Chem
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CatalogNumber
AB15069
ChemicalName
4-Methoxyphthalic acid
CasNumber
1885-13-8
MolecularFormula
C9H8O5
MolecularWeight
196.1568
MdlNumber
MFCD00094739
Smiles
COc1ccc(c(c1)C(=O)O)C(=O)O
Complexity
237
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.2
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CatalogNumber: AB15069
ChemicalName: 4-Methoxyphthalic acid
CasNumber: 1885-13-8
MolecularFormula: C9H8O5
MolecularWeight: 196.1568
MdlNumber: MFCD00094739
Smiles: COc1ccc(c(c1)C(=O)O)C(=O)O
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AB15069
ChemicalName:
4-Methoxyphthalic acid
CasNumber:
1885-13-8
MolecularFormula:
C9H8O5
MolecularWeight:
196.1568
MdlNumber:
MFCD00094739
Smiles:
COc1ccc(c(c1)C(=O)O)C(=O)O
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.2
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Smiles: OC[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-]
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Smiles:
OC[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-]
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COC(=O)C(Sc1ccncc1Br)(C)C
Complexity: __
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COC(=O)C(Sc1ccncc1Br)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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