이름: 1-chloro-8,8-dimethylnonan-4-one
SMILES:
CC(C)(C)CCCC(=O)CCCClMolecular Processing
Molecular formula
C11H21ClO
Molecular weight
204.74
Exact mass
204.1281
XLogP
3.79
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
6
Heavy atoms
13
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
0.909
Molar refractivity
58.27
Supplementary Information
InChIKey: OFRBDUJUNDNYIX-UHFFFAOYSA-N
동의어
SCHEMBL11513816OFRBDUJUNDNYIX-UHFFFAOYSA-N1-chloro-8,8-dimethyl-4-nonanone
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