CAS: 589-38-8
이름: hexan-3-one
SMILES:
CCCC(=O)CCMolecular 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: PFCHFHIRKBAQGU-UHFFFAOYSA-N
동의어
3-HEXANONEHexan-3-one589-38-8Ethyl propyl ketone3-OxohexaneAethylpropylketonFEMA No. 3290DTXSID2021608P601A79G79DTXCID501608CHEBI:89891RefChem:502156209-645-4Ethyl n-propyl ketoneMFCD0000940263072-44-63-Hexanone, analytical standard3-Hexanone (natural)Aethylpropylketon [German]BRN 1738025EINECS 209-645-4PENTANONE, METHYL-UNII-P601A79G79Hexanone-(3)3-Hexanone, 98%3-Hexanone, >=97%n-C3H7COC2H53-HEXANONE [FHFI]4-01-00-03301 (Beilstein Handbook Reference)SCHEMBL107318
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