AA84034
16232-40-9 | 6-Methyl-2-oxo-4-propyl-1,2-dihydropyridine-3-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA84034
ChemicalName
6-Methyl-2-oxo-4-propyl-1,2-dihydropyridine-3-carbonitrile
CasNumber
16232-40-9
MolecularFormula
C10H12N2O
MolecularWeight
176.2151
MdlNumber
MFCD24387405
Smiles
CCCc1cc(C)[nH]c(=O)c1C#N
Complexity
341
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AA84034
ChemicalName: 6-Methyl-2-oxo-4-propyl-1,2-dihydropyridine-3-carbonitrile
CasNumber: 16232-40-9
MolecularFormula: C10H12N2O
MolecularWeight: 176.2151
MdlNumber: MFCD24387405
Smiles: CCCc1cc(C)[nH]c(=O)c1C#N
Complexity: 341
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AA84034
ChemicalName:
6-Methyl-2-oxo-4-propyl-1,2-dihydropyridine-3-carbonitrile
CasNumber:
16232-40-9
MolecularFormula:
C10H12N2O
MolecularWeight:
176.2151
MdlNumber:
MFCD24387405
Smiles:
CCCc1cc(C)[nH]c(=O)c1C#N
Complexity:
341
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: AA84036
ChemicalName: Methyl 2-(2-formylphenyl)benzoate
CasNumber: 16231-67-7
MolecularFormula: C15H12O3
MolecularWeight: 240.254
MdlNumber: MFCD04039119
Smiles: COC(=O)c1ccccc1c1ccccc1C=O
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 2.9
CatalogNumber:
AA84036
ChemicalName:
Methyl 2-(2-formylphenyl)benzoate
CasNumber:
16231-67-7
MolecularFormula:
C15H12O3
MolecularWeight:
240.254
MdlNumber:
MFCD04039119
Smiles:
COC(=O)c1ccccc1c1ccccc1C=O
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cn1cc(nc1C)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cn1cc(nc1C)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1OCC1(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1OCC1(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__