AG24828
4468-47-7 | 2-Methyl-3-oxobutanenitrile
Manufacturer: A2B Chem
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CatalogNumber
AG24828
ChemicalName
2-Methyl-3-oxobutanenitrile
CasNumber
4468-47-7
MolecularFormula
C5H7NO
MolecularWeight
97.11518000000001
MdlNumber
MFCD06797631
Smiles
CC(C(=O)C)C#N
Complexity
119
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
0.4
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CatalogNumber: AG24828
ChemicalName: 2-Methyl-3-oxobutanenitrile
CasNumber: 4468-47-7
MolecularFormula: C5H7NO
MolecularWeight: 97.11518000000001
MdlNumber: MFCD06797631
Smiles: CC(C(=O)C)C#N
Complexity: 119
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.4
CatalogNumber:
AG24828
ChemicalName:
2-Methyl-3-oxobutanenitrile
CasNumber:
4468-47-7
MolecularFormula:
C5H7NO
MolecularWeight:
97.11518000000001
MdlNumber:
MFCD06797631
Smiles:
CC(C(=O)C)C#N
Complexity:
119
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1cc(N)ccc1OCC.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1cc(N)ccc1OCC.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)Nc1ccc(c(c1)O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)Nc1ccc(c(c1)O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cc(C)n2c(n1)ncn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cc(C)n2c(n1)ncn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__