CAS: 111-13-7
الاسم: octan-2-one
SMILES:
CCCCCCC(=O)CMolecular Processing
Molecular formula
C8H16O
Molecular weight
128.21
Exact mass
128.1201
XLogP
2.55
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
9
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
0.875
Molar refractivity
39.44
Supplementary Information
InChIKey: ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
مرادفات
2-OCTANONEOctan-2-one111-13-7Hexyl methyl ketoneMethyl hexyl ketonen-Hexyl methyl ketoneMethyl n-hexyl ketone2-OxooctaneFEMA No. 2802FEMA Number 2802J2G84H29AFDTXSID4021927NSC-3712CHEBI:87434RefChem:88855DTXCID301927203-837-1MFCD00009540MethvlhexanoneCHEMBL185492-Octanone (natural)HSDB 5545NSC 3712EINECS 203-837-1BRN 0635843UNII-J2G84H29AFAI3-05617octanone-2octane-2-one2- octanone
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