CC(C)CC(=O)C.O
الاسم: 4-methylpentan-2-one;hydrate
SMILES: CC(C)CC(=O)C.O

Molecular Processing

Molecular formula
C6H14O2
Molecular weight
118.18
Exact mass
118.0994
XLogP
0.8
TPSA
48.57
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
2
Fraction Csp3
0.833
Molar refractivity
33.75

Supplementary Information

InChIKey: XJQQCAPATAGZII-UHFFFAOYSA-N
مرادفات
isobutyl methyl ketone watermethyl isobutyl ketone watermethyl isobutyl ketone-waterSCHEMBL358566XJQQCAPATAGZII-UHFFFAOYSA-N
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