AG70174
56896-91-4 | 4-(2,5-Dioxo-2,5-dihydropyrrol-1-yl)phthalic acid
Manufacturer: A2B Chem
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CatalogNumber
AG70174
ChemicalName
4-(2,5-Dioxo-2,5-dihydropyrrol-1-yl)phthalic acid
CasNumber
56896-91-4
MolecularFormula
C12H7NO6
MolecularWeight
261.1871
MdlNumber
MFCD06220733
Smiles
O=C1C=CC(=O)N1c1ccc(c(c1)C(=O)O)C(=O)O
Complexity
465
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.1
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CatalogNumber: AG70174
ChemicalName: 4-(2,5-Dioxo-2,5-dihydropyrrol-1-yl)phthalic acid
CasNumber: 56896-91-4
MolecularFormula: C12H7NO6
MolecularWeight: 261.1871
MdlNumber: MFCD06220733
Smiles: O=C1C=CC(=O)N1c1ccc(c(c1)C(=O)O)C(=O)O
Complexity: 465
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.1
CatalogNumber:
AG70174
ChemicalName:
4-(2,5-Dioxo-2,5-dihydropyrrol-1-yl)phthalic acid
CasNumber:
56896-91-4
MolecularFormula:
C12H7NO6
MolecularWeight:
261.1871
MdlNumber:
MFCD06220733
Smiles:
O=C1C=CC(=O)N1c1ccc(c(c1)C(=O)O)C(=O)O
Complexity:
465
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.1
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Smiles: FC(OC(C(C(F)(F)F)F)(F)F)F
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Smiles:
FC(OC(C(C(F)(F)F)F)(F)F)F
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Smiles: O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CCC2=O)C)C
Complexity: __
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Smiles:
O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CCC2=O)C)C
Complexity:
__
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCOC(=O)c1c(NC(=O)C)sc2c1CCCC2
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HydrogenBondDonorCount: __
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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:
CCOC(=O)c1c(NC(=O)C)sc2c1CCCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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