trans-1,3-Cyclohexanediol

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Catalog Number
ACM-MO-5515640
Product Name
trans-1,3-Cyclohexanediol
Structure
Structure
CAS
5515-64-0
Category
Heterocyclic Organic Compound
Synonyms
trans-1,3-Dihydroxycyclohexane
IUPAC Name
cyclohexane-1,3-diol
Molecular Weight
116.16 g/mol
Molecular Formula
C6H12O2
Canonical SMILES
C1CC(CC(C1)O)O
InChI
InChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2
InChI Key
RLMGYIOTPQVQJR-UHFFFAOYSA-N
Boiling Point
135 °C/13 mmHg
Melting Point
115 °C
Appearance
White to Almost White Powder to Crystal
Complexity
64.9
Covalently-Bonded Unit Count
1
EC Number
207-979-5
Exact Mass
116.08373g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
2
Heavy Atom Count
8
Monoisotopic Mass
116.08373g/mol
NSC Number
30235
Physical State
Solid
Rotatable Bond Count
0
XLogP3
0.2
MSDS
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COA
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Spec Sheet
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