AF57215
38664-16-3 | 4-(2-Carboxy-ethyl)-2-methyl-1h-pyrrole-3-carboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AF57215
ChemicalName
4-(2-Carboxy-ethyl)-2-methyl-1h-pyrrole-3-carboxylic acid ethyl ester
CasNumber
38664-16-3
MolecularFormula
C11H15NO4
MolecularWeight
225.2411
MdlNumber
MFCD09833175
Smiles
CCOC(=O)c1c(C)[nH]cc1CCC(=O)O
Complexity
267
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
1.1
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CatalogNumber: AF57215
ChemicalName: 4-(2-Carboxy-ethyl)-2-methyl-1h-pyrrole-3-carboxylic acid ethyl ester
CasNumber: 38664-16-3
MolecularFormula: C11H15NO4
MolecularWeight: 225.2411
MdlNumber: MFCD09833175
Smiles: CCOC(=O)c1c(C)[nH]cc1CCC(=O)O
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 1.1
CatalogNumber:
AF57215
ChemicalName:
4-(2-Carboxy-ethyl)-2-methyl-1h-pyrrole-3-carboxylic acid ethyl ester
CasNumber:
38664-16-3
MolecularFormula:
C11H15NO4
MolecularWeight:
225.2411
MdlNumber:
MFCD09833175
Smiles:
CCOC(=O)c1c(C)[nH]cc1CCC(=O)O
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
1.1
CatalogNumber: __
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Smiles: CCOC(=O)C1=C(C2=C(C=CC(=C2N1)Cl)C(=O)O)CCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOC(=O)C1=C(C2=C(C=CC(=C2N1)Cl)C(=O)O)CCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CN(CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C.OC(=O)C=CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
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Smiles:
CN(CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C.OC(=O)C=CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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MolecularFormula: __
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Smiles: O=c1oc2ccccc2[nH]c1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1oc2ccccc2[nH]c1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__