CC(C)C(=O)C
CAS: 563-80-4
Название: 3-methylbutan-2-one
SMILES: CC(C)C(=O)C

Molecular Processing

Molecular formula
C5H10O
Molecular weight
86.13
Exact mass
86.0732
XLogP
1.23
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
25.52

Supplementary Information

InChIKey: SYBYTAAJFKOIEJ-UHFFFAOYSA-N
Синонимы
3-METHYL-2-BUTANONE563-80-43-Methylbutan-2-oneMethyl isopropyl ketoneIsopropyl methyl ketone2-Acetylpropane2-Butanone, 3-methyl-MIPKKetone, isopropyl methyl2-Acetyl propaneMethylbutanoneDTXSID0022062V8DP6THY5ONSC-9379DTXCID8020623-methyl butan-2-one2-isopentanoneRefChem:817814209-264-3Methyl butanone-22-Methyl-3-butanone3-MethylbutanonemethylisopropylketoneNSC 93793-methyl-butan-2-oneMFCD000089193-Methyl-2-butanone, 99%Methylbutanone (VAN)Caswell No. 555ACAS-563-80-4
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