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cis-1,4-Cyclohexanediol

Catalog Number
ACM931715
CAS Number
931-71-5
Product Name
cis-1,4-Cyclohexanediol
Structure
Category
Monomers
Synonyms
CIS-1,4-CYCLOHEXANEDIOL;cis-cyclohexane-1,4-diol;TRANS-1,4-CYLCLOHEXANEDIOL;cis-4-cyclohexanediol;cis-Chinit;cis-Hexahydrohydroquinone;cis-Quinitol;cis-1,4-Dihydroxycyclohexane
IUPAC Name
cyclohexane-1,4-diol
Molecular Weight
116.16g/mol
Molecular Formula
C6H12O2
Canonical SMILES
C1CC(CCC1O)O
InChI
InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2
InChI Key
VKONPUDBRVKQLM-UHFFFAOYSA-N
Boiling Point
150 ºC
Melting Point
98-100 ºC
Flash Point
65 ºC
Complexity
54.9
Covalently-Bonded Unit Count
1
EC Number
209-126-2;213-240-8;615-039-4
Exact Mass
116.08373g/mol
Formal Charge
0
Heavy Atom Count
8
MeSH Entry Terms
(cis)-isomer of 1,4-cyclohexanediol;(trans)-isomer of 1,4-cyclohexanediol;1,4-cyclohexanediol;cis-1,4-cyclohexanediol;trans-1,4-cyclohexanediol
Monoisotopic Mass
116.08373g/mol
NSC Number
5730;5651
Rotatable Bond Count
0
XLogP3
0.2
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