AB37961
29509-06-6 | 4-Methyl-3-oxopentanenitrile
Manufacturer: A2B Chem
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CatalogNumber
AB37961
ChemicalName
4-Methyl-3-oxopentanenitrile
CasNumber
29509-06-6
MolecularFormula
C6H9NO
MolecularWeight
111.14175999999999
MdlNumber
MFCD05664144
Smiles
CC(C(=O)CC#N)C
Complexity
129
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
0.9
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CatalogNumber: AB37961
ChemicalName: 4-Methyl-3-oxopentanenitrile
CasNumber: 29509-06-6
MolecularFormula: C6H9NO
MolecularWeight: 111.14175999999999
MdlNumber: MFCD05664144
Smiles: CC(C(=O)CC#N)C
Complexity: 129
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AB37961
ChemicalName:
4-Methyl-3-oxopentanenitrile
CasNumber:
29509-06-6
MolecularFormula:
C6H9NO
MolecularWeight:
111.14175999999999
MdlNumber:
MFCD05664144
Smiles:
CC(C(=O)CC#N)C
Complexity:
129
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C(=O)C(C)(C)C)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C(=O)C(C)(C)C)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB37963
ChemicalName: Sodium (carbomethoxy)methane sulfonate
CasNumber: 29508-16-5
MolecularFormula: C3H6NaO5S
MolecularWeight: 177.1315
MdlNumber: MFCD11044485
Smiles: COC(=O)CS(=O)(=O)O.[Na]
Complexity: 189
Covalently-bondedUnitCount: 2
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB37963
ChemicalName:
Sodium (carbomethoxy)methane sulfonate
CasNumber:
29508-16-5
MolecularFormula:
C3H6NaO5S
MolecularWeight:
177.1315
MdlNumber:
MFCD11044485
Smiles:
COC(=O)CS(=O)(=O)O.[Na]
Complexity:
189
Covalently-bondedUnitCount:
2
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)cc(cn2)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)cc(cn2)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__