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Structure

1,4-Cyclohexanediol,mixture of cis and trans

CAS
556-48-9
Catalog Number
ACM556489
Category
Other Products
Molecular Weight
116.16g/mol
Molecular Formula
C6H12O2

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Specification

IUPAC Name
cyclohexane-1,4-diol
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
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
H-Bond Acceptor
2
H-Bond Donor
2
Heavy Atom Count
8
Monoisotopic Mass
116.08373g/mol
NSC Number
5730;5651
Rotatable Bond Count
0
XLogP3
0.2
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