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116235-87-1 | 1,3-Cyclohexanediol, 1,5,5-trimethyl-
CAS No: 116235-87-1 Catalog No: AG000BZO MDL No:
Product Description
Catalog Number:
AG000BZO
Chemical Name:
1,3-Cyclohexanediol, 1,5,5-trimethyl-
CAS Number:
116235-87-1
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
IUPAC Name:
1,5,5-trimethylcyclohexane-1,3-diol
InChI:
InChI=1S/C9H18O2/c1-8(2)4-7(10)5-9(3,11)6-8/h7,10-11H,4-6H2,1-3H3
InChI Key:
IGGOBQNADHBTSJ-UHFFFAOYSA-N
SMILES:
OC1CC(C)(C)CC(C1)(C)O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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