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147332-78-3 | Cyclohexanol, 3,3,5-trimethyl-, (1S,5R)-
CAS No: 147332-78-3 Catalog No: AG001ETF MDL No:
Product Description
Catalog Number:
AG001ETF
Chemical Name:
Cyclohexanol, 3,3,5-trimethyl-, (1S,5R)-
CAS Number:
147332-78-3
Molecular Formula:
C9H18O
Molecular Weight:
142.2386
IUPAC Name:
(1S,5R)-3,3,5-trimethylcyclohexan-1-ol
InChI:
InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3/t7-,8-/m0/s1
InChI Key:
BRRVXFOKWJKTGG-YUMQZZPRSA-N
SMILES:
C[C@H]1C[C@H](O)CC(C1)(C)C
EC Number:
212-183-6
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
142.136g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.242g/mol
Monoisotopic Mass:
142.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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