AI45159
2199-51-1 | 2,4-Dimethyl-1h-pyrrole-3-carboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI45159
ChemicalName
2,4-Dimethyl-1h-pyrrole-3-carboxylic acid ethyl ester
CasNumber
2199-51-1
MolecularFormula
C9H13NO2
MolecularWeight
167.205
MdlNumber
MFCD01365811
Smiles
CCOC(=O)c1c(C)c[nH]c1C
NscNumber
13425
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.7
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CatalogNumber: AI45159
ChemicalName: 2,4-Dimethyl-1h-pyrrole-3-carboxylic acid ethyl ester
CasNumber: 2199-51-1
MolecularFormula: C9H13NO2
MolecularWeight: 167.205
MdlNumber: MFCD01365811
Smiles: CCOC(=O)c1c(C)c[nH]c1C
NscNumber: 13425
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AI45159
ChemicalName:
2,4-Dimethyl-1h-pyrrole-3-carboxylic acid ethyl ester
CasNumber:
2199-51-1
MolecularFormula:
C9H13NO2
MolecularWeight:
167.205
MdlNumber:
MFCD01365811
Smiles:
CCOC(=O)c1c(C)c[nH]c1C
NscNumber:
13425
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.7
CatalogNumber: __
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Smiles: S[C@@H]1CN[C@@H](C1)C(=O)Nc1cccc(c1)C(=O)O.Cl
NscNumber: __
Complexity: __
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Smiles:
S[C@@H]1CN[C@@H](C1)C(=O)Nc1cccc(c1)C(=O)O.Cl
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Complexity:
__
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Smiles: COc1ncncc1I
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COc1ncncc1I
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Smiles: N#Cc1cc(Cl)ccc1N1CCCC1
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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:
N#Cc1cc(Cl)ccc1N1CCCC1
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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