AD70449
14963-97-4 | 3-Methoxyphthalic acid
Manufacturer: A2B Chem
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CatalogNumber
AD70449
ChemicalName
3-Methoxyphthalic acid
CasNumber
14963-97-4
MolecularFormula
C9H8O5
MolecularWeight
196.15682000000004
MdlNumber
MFCD17014918
Smiles
COc1cccc(c1C(=O)O)C(=O)O
NscNumber
239374
Complexity
237
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AD70449
ChemicalName: 3-Methoxyphthalic acid
CasNumber: 14963-97-4
MolecularFormula: C9H8O5
MolecularWeight: 196.15682000000004
MdlNumber: MFCD17014918
Smiles: COc1cccc(c1C(=O)O)C(=O)O
NscNumber: 239374
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AD70449
ChemicalName:
3-Methoxyphthalic acid
CasNumber:
14963-97-4
MolecularFormula:
C9H8O5
MolecularWeight:
196.15682000000004
MdlNumber:
MFCD17014918
Smiles:
COc1cccc(c1C(=O)O)C(=O)O
NscNumber:
239374
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: CCCCCCCCC=CCCCCCCCC[N+](C)(C)C.[Cl-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCCCCCC=CCCCCCCCC[N+](C)(C)C.[Cl-]
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Complexity:
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RotatableBondCount:
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ChemicalName: __
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MolecularFormula: __
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Smiles: CC([C@H]1COC(=S)N1)C
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Smiles:
CC([C@H]1COC(=S)N1)C
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Complexity:
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Covalently-bondedUnitCount:
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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: CCCCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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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:
CCCCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCC
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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