AI40381
1820620-45-8 | Methyl 1,6-dimethyl-4-oxopyridine-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI40381
ChemicalName
Methyl 1,6-dimethyl-4-oxopyridine-3-carboxylate
CasNumber
1820620-45-8
MolecularFormula
C9H11NO3
MolecularWeight
181.1885
MdlNumber
MFCD28385214
Smiles
COC(=O)c1cn(C)c(cc1=O)C
Complexity
315
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
0.7
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CatalogNumber: AI40381
ChemicalName: Methyl 1,6-dimethyl-4-oxopyridine-3-carboxylate
CasNumber: 1820620-45-8
MolecularFormula: C9H11NO3
MolecularWeight: 181.1885
MdlNumber: MFCD28385214
Smiles: COC(=O)c1cn(C)c(cc1=O)C
Complexity: 315
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AI40381
ChemicalName:
Methyl 1,6-dimethyl-4-oxopyridine-3-carboxylate
CasNumber:
1820620-45-8
MolecularFormula:
C9H11NO3
MolecularWeight:
181.1885
MdlNumber:
MFCD28385214
Smiles:
COC(=O)c1cn(C)c(cc1=O)C
Complexity:
315
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(cc(c1)C(=O)OC)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(cc(c1)C(=O)OC)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI40385
ChemicalName: N-(4-Nitrophenyl)-N-propylmethanesulfonamide
CasNumber: 1820638-90-1
MolecularFormula: C10H14N2O4S
MolecularWeight: 258.2942
MdlNumber: MFCD28122682
Smiles: CCCN(S(=O)(=O)C)c1ccc(cc1)[N+](=O)[O-]
Complexity: 350
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 1.8
CatalogNumber:
AI40385
ChemicalName:
N-(4-Nitrophenyl)-N-propylmethanesulfonamide
CasNumber:
1820638-90-1
MolecularFormula:
C10H14N2O4S
MolecularWeight:
258.2942
MdlNumber:
MFCD28122682
Smiles:
CCCN(S(=O)(=O)C)c1ccc(cc1)[N+](=O)[O-]
Complexity:
350
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
1.8
CatalogNumber: AI40386
ChemicalName: 1-Benzoyl-3-(2-hydroxy-5-nitrophenyl)urea
CasNumber: 1820639-05-1
MolecularFormula: C14H11N3O5
MolecularWeight: 301.2542
MdlNumber: MFCD27981309
Smiles: O=C(Nc1cc(ccc1O)[N+](=O)[O-])NC(=O)c1ccccc1
Complexity: 431
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AI40386
ChemicalName:
1-Benzoyl-3-(2-hydroxy-5-nitrophenyl)urea
CasNumber:
1820639-05-1
MolecularFormula:
C14H11N3O5
MolecularWeight:
301.2542
MdlNumber:
MFCD27981309
Smiles:
O=C(Nc1cc(ccc1O)[N+](=O)[O-])NC(=O)c1ccccc1
Complexity:
431
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
2.4