AA85162
1632-19-5 | Dimethyl 3,4-dihydroxypyrrole-2,5-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA85162
ChemicalName
Dimethyl 3,4-dihydroxypyrrole-2,5-dicarboxylate
CasNumber
1632-19-5
MolecularFormula
C8H9NO6
MolecularWeight
215.1602
MdlNumber
MFCD00276587
Smiles
COC(=O)c1[nH]c(c(c1O)O)C(=O)OC
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
4
Xlogp3
1.5
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CatalogNumber: AA85162
ChemicalName: Dimethyl 3,4-dihydroxypyrrole-2,5-dicarboxylate
CasNumber: 1632-19-5
MolecularFormula: C8H9NO6
MolecularWeight: 215.1602
MdlNumber: MFCD00276587
Smiles: COC(=O)c1[nH]c(c(c1O)O)C(=O)OC
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: 1.5
CatalogNumber:
AA85162
ChemicalName:
Dimethyl 3,4-dihydroxypyrrole-2,5-dicarboxylate
CasNumber:
1632-19-5
MolecularFormula:
C8H9NO6
MolecularWeight:
215.1602
MdlNumber:
MFCD00276587
Smiles:
COC(=O)c1[nH]c(c(c1O)O)C(=O)OC
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCC(=C)CC
Complexity: 62.4
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4
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MolecularFormula:
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Smiles:
CCCCC(=C)CC
Complexity:
62.4
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4
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MolecularFormula: __
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MdlNumber: __
Smiles: CC(C(=O)C(=Cc1ccccc1)C(=O)Nc1ccccc1OCc1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC(C(=O)C(=Cc1ccccc1)C(=O)Nc1ccccc1OCc1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MdlNumber: __
Smiles: O[C@@H]1C[C@@H](CCn2c(C(C)C)c(c(c2c2ccc(cc2)F)c2ccccc2)C(=O)Nc2ccccc2O)OC(=O)C1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1C[C@@H](CCn2c(C(C)C)c(c(c2c2ccc(cc2)F)c2ccccc2)C(=O)Nc2ccccc2O)OC(=O)C1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__