AC76725
74455-30-4 | Ethyl 3-amino-4-cyano-5-methyl-1H-pyrrole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC76725
ChemicalName
Ethyl 3-amino-4-cyano-5-methyl-1H-pyrrole-2-carboxylate
CasNumber
74455-30-4
MolecularFormula
C9H11N3O2
MolecularWeight
193.2025
MdlNumber
MFCD10699680
Smiles
CCOC(=O)c1[nH]c(c(c1N)C#N)C
Complexity
271
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AC76725
ChemicalName: Ethyl 3-amino-4-cyano-5-methyl-1H-pyrrole-2-carboxylate
CasNumber: 74455-30-4
MolecularFormula: C9H11N3O2
MolecularWeight: 193.2025
MdlNumber: MFCD10699680
Smiles: CCOC(=O)c1[nH]c(c(c1N)C#N)C
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AC76725
ChemicalName:
Ethyl 3-amino-4-cyano-5-methyl-1H-pyrrole-2-carboxylate
CasNumber:
74455-30-4
MolecularFormula:
C9H11N3O2
MolecularWeight:
193.2025
MdlNumber:
MFCD10699680
Smiles:
CCOC(=O)c1[nH]c(c(c1N)C#N)C
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.3
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Smiles: OCC(CO)(CO)CO.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O
Complexity: __
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Smiles:
OCC(CO)(CO)CO.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O
Complexity:
__
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Smiles: Cc1nn(c(c1)OC(=O)c1ccccc1Cl)c1ccccc1
Complexity: __
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Smiles:
Cc1nn(c(c1)OC(=O)c1ccccc1Cl)c1ccccc1
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: OC(=O)c1cccn(c1=S)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccn(c1=S)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__