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Cis-1,2-Cyclohexanediol

Catalog Number
ACM1792810
CAS Number
1792-81-0
Product Name
Cis-1,2-Cyclohexanediol
Structure
Category
Monomers
Synonyms
cis-Cyclohexane-1,2-diol
IUPAC Name
(1R,2S)-cyclohexane-1,2-diol
Molecular Weight
116.16
Molecular Formula
C6H12O2
Canonical SMILES
C1CC[C@@H]([C@@H](C1)O)O
InChI
InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6+
InChI Key
PFURGBBHAOXLIO-OLQVQODUSA-N
Complexity
63
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
116.0837
Formal Charge
0
Heavy Atom Count
8
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
MeSH Entry Terms
1,2-cyclohexanediol;1,2-cyclohexanediol, (cis)-isomer;1,2-cyclohexanediol, (trans)-isomer;cis-1,2-cyclohexanediol;trans-1,2-cyclohexanediol
Monoisotopic Mass
116.0837
Rotatable Bond Count
0
Topological Polar Surface Area
40.5 Ų
XLogP3
0.2
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