AE94858
185847-84-1 | Benzyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE94858
ChemicalName
Benzyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
CasNumber
185847-84-1
MolecularFormula
C13H13NO3
MolecularWeight
231.2472
MdlNumber
MFCD08437477
Smiles
O=C(N1CCC(=O)C=C1)OCc1ccccc1
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.2
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CatalogNumber: AE94858
ChemicalName: Benzyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
CasNumber: 185847-84-1
MolecularFormula: C13H13NO3
MolecularWeight: 231.2472
MdlNumber: MFCD08437477
Smiles: O=C(N1CCC(=O)C=C1)OCc1ccccc1
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AE94858
ChemicalName:
Benzyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
CasNumber:
185847-84-1
MolecularFormula:
C13H13NO3
MolecularWeight:
231.2472
MdlNumber:
MFCD08437477
Smiles:
O=C(N1CCC(=O)C=C1)OCc1ccccc1
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C12CCC(C2)CC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C12CCC(C2)CC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE94860
ChemicalName: Methyl 6-amino-2-methylbenzoate
CasNumber: 18595-13-6
MolecularFormula: C9H11NO2
MolecularWeight: 165.1891
MdlNumber: MFCD11505989
Smiles: COC(=O)c1c(C)cccc1N
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AE94860
ChemicalName:
Methyl 6-amino-2-methylbenzoate
CasNumber:
18595-13-6
MolecularFormula:
C9H11NO2
MolecularWeight:
165.1891
MdlNumber:
MFCD11505989
Smiles:
COC(=O)c1c(C)cccc1N
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClS(=O)(=O)c1nccnc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClS(=O)(=O)c1nccnc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__