AB45337
3284-51-3 | Ethyl 5-methyl-1H-pyrrole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB45337
ChemicalName
Ethyl 5-methyl-1H-pyrrole-2-carboxylate
CasNumber
3284-51-3
MolecularFormula
C8H11NO2
MolecularWeight
153.1784
MdlNumber
MFCD01006731
Smiles
CCOC(=O)c1ccc([nH]1)C
NscNumber
81362
Complexity
147
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.7
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CatalogNumber: AB45337
ChemicalName: Ethyl 5-methyl-1H-pyrrole-2-carboxylate
CasNumber: 3284-51-3
MolecularFormula: C8H11NO2
MolecularWeight: 153.1784
MdlNumber: MFCD01006731
Smiles: CCOC(=O)c1ccc([nH]1)C
NscNumber: 81362
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AB45337
ChemicalName:
Ethyl 5-methyl-1H-pyrrole-2-carboxylate
CasNumber:
3284-51-3
MolecularFormula:
C8H11NO2
MolecularWeight:
153.1784
MdlNumber:
MFCD01006731
Smiles:
CCOC(=O)c1ccc([nH]1)C
NscNumber:
81362
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.7
CatalogNumber: AB45338
ChemicalName: 5-Methylfuran-2(5H)-one
CasNumber: 591-11-7
MolecularFormula: C5H6O2
MolecularWeight: 98.0999
MdlNumber: MFCD01725808
Smiles: CC1C=CC(=O)O1
NscNumber: __
Complexity: 115
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
AB45338
ChemicalName:
5-Methylfuran-2(5H)-one
CasNumber:
591-11-7
MolecularFormula:
C5H6O2
MolecularWeight:
98.0999
MdlNumber:
MFCD01725808
Smiles:
CC1C=CC(=O)O1
NscNumber:
__
Complexity:
115
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: AB45339
ChemicalName: 3-Methyl-5-nitro-1h-pyrazole
CasNumber: 34334-96-8
MolecularFormula: C4H5N3O2
MolecularWeight: 127.1014
MdlNumber: MFCD00514181
Smiles: [O-][N+](=O)c1cc([nH]n1)C
NscNumber: __
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
AB45339
ChemicalName:
3-Methyl-5-nitro-1h-pyrazole
CasNumber:
34334-96-8
MolecularFormula:
C4H5N3O2
MolecularWeight:
127.1014
MdlNumber:
MFCD00514181
Smiles:
[O-][N+](=O)c1cc([nH]n1)C
NscNumber:
__
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc2c(c1)ccs2
NscNumber: __
Complexity: 122
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc2c(c1)ccs2
NscNumber:
__
Complexity:
122
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3