AB49682
18711-59-6 | 4-Methylpyrrole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49682
ChemicalName
4-Methylpyrrole-2-carboxylic acid
CasNumber
18711-59-6
MolecularFormula
C6H7NO2
MolecularWeight
125.1253
MdlNumber
MFCD03839931
Smiles
Cc1cc([nH]c1)C(=O)O
Complexity
124
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.9
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CatalogNumber: AB49682
ChemicalName: 4-Methylpyrrole-2-carboxylic acid
CasNumber: 18711-59-6
MolecularFormula: C6H7NO2
MolecularWeight: 125.1253
MdlNumber: MFCD03839931
Smiles: Cc1cc([nH]c1)C(=O)O
Complexity: 124
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.9
CatalogNumber:
AB49682
ChemicalName:
4-Methylpyrrole-2-carboxylic acid
CasNumber:
18711-59-6
MolecularFormula:
C6H7NO2
MolecularWeight:
125.1253
MdlNumber:
MFCD03839931
Smiles:
Cc1cc([nH]c1)C(=O)O
Complexity:
124
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NCCCC1O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NCCCC1O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1C[C@@H]2C[C@H]([C@]1(C)O)C2(C)C
Complexity: 212
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1C[C@@H]2C[C@H]([C@]1(C)O)C2(C)C
Complexity:
212
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1Nc2c(C1)cc(cc2)O
Complexity: 181
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1Nc2c(C1)cc(cc2)O
Complexity:
181
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.8