AG50490
4391-98-4 | 1H-Pyrrole-2-carboxylic acid,4-ethyl-3-methyl-,ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AG50490
ChemicalName
1H-Pyrrole-2-carboxylic acid,4-ethyl-3-methyl-,ethyl ester
CasNumber
4391-98-4
MolecularFormula
C10H15NO2
MolecularWeight
181.2316
MdlNumber
MFCD20661223
Smiles
CCOC(=O)c1[nH]cc(c1C)CC
Complexity
182
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.4
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CatalogNumber: AG50490
ChemicalName: 1H-Pyrrole-2-carboxylic acid,4-ethyl-3-methyl-,ethyl ester
CasNumber: 4391-98-4
MolecularFormula: C10H15NO2
MolecularWeight: 181.2316
MdlNumber: MFCD20661223
Smiles: CCOC(=O)c1[nH]cc(c1C)CC
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AG50490
ChemicalName:
1H-Pyrrole-2-carboxylic acid,4-ethyl-3-methyl-,ethyl ester
CasNumber:
4391-98-4
MolecularFormula:
C10H15NO2
MolecularWeight:
181.2316
MdlNumber:
MFCD20661223
Smiles:
CCOC(=O)c1[nH]cc(c1C)CC
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.4
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MolecularFormula: __
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Smiles: NNC(=O)c1[nH]cc(c1)C(=O)c1ccccc1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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Smiles:
NNC(=O)c1[nH]cc(c1)C(=O)c1ccccc1C
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Smiles: CC1=CC(=O)N(C1=O)N
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Smiles:
CC1=CC(=O)N(C1=O)N
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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Smiles: O=Cc1cc(c([nH]1)C)C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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:
__
MdlNumber:
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Smiles:
O=Cc1cc(c([nH]1)C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__