CCCCCC(=O)CCCCl
CAS: 54131-57-6
名称: 1-chlorononan-4-one
SMILES: CCCCCC(=O)CCCCl

Molecular Processing

Molecular formula
C9H17ClO
Molecular weight
176.69
Exact mass
176.0968
XLogP
3.15
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
7
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
49.1

Supplementary Information

InChIKey: ZCTKTQUONMEFHR-UHFFFAOYSA-N
同義語
54131-57-61-chloro-4-nonanone1-CHLORONONAN-4-ONESCHEMBL11513853DTXSID30606534ZCTKTQUONMEFHR-UHFFFAOYSA-NAKOS014777491DA-29540
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