AI49543
38588-64-6 | 3,5-Bis(methoxycarbonyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI49543
ChemicalName
3,5-Bis(methoxycarbonyl)benzoic acid
CasNumber
38588-64-6
MolecularFormula
C11H10O6
MolecularWeight
238.1935
MdlNumber
MFCD06797584
Smiles
COC(=O)c1cc(cc(c1)C(=O)OC)C(=O)O
Complexity
300
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.2
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CatalogNumber: AI49543
ChemicalName: 3,5-Bis(methoxycarbonyl)benzoic acid
CasNumber: 38588-64-6
MolecularFormula: C11H10O6
MolecularWeight: 238.1935
MdlNumber: MFCD06797584
Smiles: COC(=O)c1cc(cc(c1)C(=O)OC)C(=O)O
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.2
CatalogNumber:
AI49543
ChemicalName:
3,5-Bis(methoxycarbonyl)benzoic acid
CasNumber:
38588-64-6
MolecularFormula:
C11H10O6
MolecularWeight:
238.1935
MdlNumber:
MFCD06797584
Smiles:
COC(=O)c1cc(cc(c1)C(=O)OC)C(=O)O
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: C1CCC(CC1)NC1CCCCC1.OC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
C1CCC(CC1)NC1CCCCC1.OC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
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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ChemicalName: __
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MolecularFormula: __
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Smiles: COc1cccc(c1)n1nnc(c1C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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:
COc1cccc(c1)n1nnc(c1C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: O=C1CC[C@]2(C(=C1)[C@H](Br)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CC[C@]2(C(=C1)[C@H](Br)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__