AD56084
2386-33-6 | 3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD56084
ChemicalName
3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
CasNumber
2386-33-6
MolecularFormula
C9H11NO3
MolecularWeight
181.1885
MdlNumber
MFCD00734952
Smiles
Cc1[nH]c(c(c1C)C(=O)C)C(=O)O
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1
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CatalogNumber: AD56084
ChemicalName: 3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
CasNumber: 2386-33-6
MolecularFormula: C9H11NO3
MolecularWeight: 181.1885
MdlNumber: MFCD00734952
Smiles: Cc1[nH]c(c(c1C)C(=O)C)C(=O)O
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AD56084
ChemicalName:
3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
CasNumber:
2386-33-6
MolecularFormula:
C9H11NO3
MolecularWeight:
181.1885
MdlNumber:
MFCD00734952
Smiles:
Cc1[nH]c(c(c1C)C(=O)C)C(=O)O
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)c1c(C)[nH]c(c1C)C(=O)[O-].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1c(C)[nH]c(c1C)C(=O)[O-].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)c1c(C)c[nH]c1C
Complexity: 144
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1c(C)c[nH]c1C
Complexity:
144
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.2
CatalogNumber: AD56093
ChemicalName: 1-Benzyl-5-nitro-1h-indazole
CasNumber: 23856-20-4
MolecularFormula: C14H11N3O2
MolecularWeight: 253.256
MdlNumber: MFCD08275706
Smiles: [O-][N+](=O)c1ccc2c(c1)cnn2Cc1ccccc1
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AD56093
ChemicalName:
1-Benzyl-5-nitro-1h-indazole
CasNumber:
23856-20-4
MolecularFormula:
C14H11N3O2
MolecularWeight:
253.256
MdlNumber:
MFCD08275706
Smiles:
[O-][N+](=O)c1ccc2c(c1)cnn2Cc1ccccc1
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3