AA32813
1197-13-3 | Methyl 5-formylpyrrole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA32813
ChemicalName
Methyl 5-formylpyrrole-2-carboxylate
CasNumber
1197-13-3
MolecularFormula
C7H7NO3
MolecularWeight
153.1354
MdlNumber
MFCD09878545
Smiles
COC(=O)c1ccc([nH]1)C=O
NscNumber
244809
Complexity
169
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.7
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CatalogNumber: AA32813
ChemicalName: Methyl 5-formylpyrrole-2-carboxylate
CasNumber: 1197-13-3
MolecularFormula: C7H7NO3
MolecularWeight: 153.1354
MdlNumber: MFCD09878545
Smiles: COC(=O)c1ccc([nH]1)C=O
NscNumber: 244809
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.7
CatalogNumber:
AA32813
ChemicalName:
Methyl 5-formylpyrrole-2-carboxylate
CasNumber:
1197-13-3
MolecularFormula:
C7H7NO3
MolecularWeight:
153.1354
MdlNumber:
MFCD09878545
Smiles:
COC(=O)c1ccc([nH]1)C=O
NscNumber:
244809
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.7
CatalogNumber: AA32814
ChemicalName: Methyl 4,5-dichloro-1h-pyrrole-2-carboxylate
CasNumber: 1197-12-2
MolecularFormula: C6H5Cl2NO2
MolecularWeight: 194.0154
MdlNumber: MFCD13193111
Smiles: COC(=O)c1[nH]c(c(c1)Cl)Cl
NscNumber: __
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AA32814
ChemicalName:
Methyl 4,5-dichloro-1h-pyrrole-2-carboxylate
CasNumber:
1197-12-2
MolecularFormula:
C6H5Cl2NO2
MolecularWeight:
194.0154
MdlNumber:
MFCD13193111
Smiles:
COC(=O)c1[nH]c(c(c1)Cl)Cl
NscNumber:
__
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1cccc(n1)C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1cccc(n1)C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA32816
ChemicalName: 3',4'-Dihydroxyacetophenone
CasNumber: 1197-09-7
MolecularFormula: C8H8O3
MolecularWeight: 152.1473
MdlNumber: MFCD00192301
Smiles: CC(=O)c1ccc(c(c1)O)O
NscNumber: __
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AA32816
ChemicalName:
3',4'-Dihydroxyacetophenone
CasNumber:
1197-09-7
MolecularFormula:
C8H8O3
MolecularWeight:
152.1473
MdlNumber:
MFCD00192301
Smiles:
CC(=O)c1ccc(c(c1)O)O
NscNumber:
__
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.5