CCCCC(=O)C
CAS: 591-78-6
Название: hexan-2-one
SMILES: CCCCC(=O)C

Molecular Processing

Molecular formula
C6H12O
Molecular weight
100.16
Exact mass
100.0888
XLogP
1.77
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
7
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
0.833
Molar refractivity
30.21

Supplementary Information

InChIKey: QQZOPKMRPOGIEB-UHFFFAOYSA-N
Синонимы
2-HEXANONEHexan-2-one591-78-6Butyl methyl ketoneMethyl butyl ketone2-OxohexanePropylacetoneMethyl N-butyl ketonen-Butyl methyl ketoneHexanone-2MNBKKetone, butyl methylmethyl-n-butyl ketoneDTXSID00220686QDY60NH6NButylmethyl Ketone2 HexanoneHexan 2 oneKetone, ButylmethylMethyl n Butyl KetoneKetone, Methyl n-Butyln-Butyl Ketone, MethylRefChem:472860DTXCID202068209-731-130637-87-72-Hexanone Methyl n-butyl ketonen-C4H9COCH3MFCD00009482methylbutyl ketone
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