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114499-81-9 | 1,3-Propanediol, 1-cyclohexyl-1-phenyl-, (S)- (9CI)
CAS No: 114499-81-9 Catalog No: AG000EKK MDL No:
Product Description
Catalog Number:
AG000EKK
Chemical Name:
1,3-Propanediol, 1-cyclohexyl-1-phenyl-, (S)- (9CI)
CAS Number:
114499-81-9
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
1-cyclohexyl-1-phenylpropane-1,3-diol
InChI:
InChI=1S/C15H22O2/c16-12-11-15(17,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,14,16-17H,2,5-6,9-12H2
InChI Key:
RNQWYWHVRAZFQB-UHFFFAOYSA-N
SMILES:
OCC[C@@](c1ccccc1)(C1CCCCC1)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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