CCCC(CCC)C(=O)CCl
이름: 1-chloro-3-propylhexan-2-one
SMILES: CCCC(CCC)C(=O)CCl

Molecular Processing

Molecular formula
C9H17ClO
Molecular weight
176.69
Exact mass
176.0968
XLogP
3.01
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
6
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
49.03

Supplementary Information

InChIKey: NZMRJUYBKVFDFI-UHFFFAOYSA-N
동의어
1-Chloro-3-propyl-2-hexanoneSCHEMBL49927131 -Chloro-3-propyl-2-hexanoneNZMRJUYBKVFDFI-UHFFFAOYSA-NAKOS017529226
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