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123766-40-5 | 1,3-Benzenedimethanol, 5-cyclohexyl-2-hydroxy-
CAS No: 123766-40-5 Catalog No: AG000L1Q MDL No:
Product Description
Catalog Number:
AG000L1Q
Chemical Name:
1,3-Benzenedimethanol, 5-cyclohexyl-2-hydroxy-
CAS Number:
123766-40-5
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
4-cyclohexyl-2,6-bis(hydroxymethyl)phenol
InChI:
InChI=1S/C14H20O3/c15-8-12-6-11(7-13(9-16)14(12)17)10-4-2-1-3-5-10/h6-7,10,15-17H,1-5,8-9H2
InChI Key:
OWTGALWHQDVEKQ-UHFFFAOYSA-N
SMILES:
OCc1cc(cc(c1O)CO)C1CCCCC1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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