CAS: 106-68-3
이름: octan-3-one
SMILES:
CCCCCC(=O)CCMolecular 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: RHLVCLIPMVJYKS-UHFFFAOYSA-N
동의어
3-OctanoneOctan-3-one106-68-3Ethyl pentyl ketoneEthyl n-pentyl ketoneEthyl n-amyl ketone3-OxooctaneFEMA No. 2803DTXSID3041954NSC-60161DTXCID1021954CHEBI:8094679173B4107RefChem:25868203-423-0Amyl ethyl ketoneEthyl n-amylketoneEAKNSC 60161MFCD000095152-Heptanone, methyl-3-Octanone (natural)HSDB 5371EINECS 203-423-0UN2271BRN 1700021methylheptanoneAI3-36116CCRIS 88081-ethyl hexanal
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