CAS: 830-13-7
名称: cyclododecanone
SMILES:
C1CCCCCC(=O)CCCCC1Molecular Processing
Molecular formula
C12H22O
Molecular weight
182.31
Exact mass
182.1671
XLogP
3.86
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
55.79
Supplementary Information
InChIKey: SXVPOSFURRDKBO-UHFFFAOYSA-N
同義語
CYCLODODECANONE830-13-7DTXSID3027322NSC 77116UNII-WL053118A9HSDB 5762EINECS 212-595-6NSC-77116WL053118A9CYCLODODECANONE [HSDB]DTXCID707322EC 212-595-6RefChem:129458212-595-6InChI=1/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11HSXVPOSFURRDKBO-UHFFFAOYSA-Ncyclododecan-1-oneMFCD00003722CAS-830-13-71-CYCLODODECANONEcyclododecanonNSC77116CDONCyclododecanone (CDON)Cyclododecanone, >=99%SCHEMBL190509CHEMBL1883853CHEBI:177614Tox21_201557Tox21_303048
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