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84022-32-2 | 1,3-Propanediol, 1-(1-methoxycyclohexyl)-3-phenyl-
CAS No: 84022-32-2 Catalog No: AG004QFC MDL No:
Product Description
Catalog Number:
AG004QFC
Chemical Name:
1,3-Propanediol, 1-(1-methoxycyclohexyl)-3-phenyl-
CAS Number:
84022-32-2
Molecular Formula:
C16H24O3
Molecular Weight:
264.3600
IUPAC Name:
1-(1-methoxycyclohexyl)-3-phenylpropane-1,3-diol
InChI:
InChI=1S/C16H24O3/c1-19-16(10-6-3-7-11-16)15(18)12-14(17)13-8-4-2-5-9-13/h2,4-5,8-9,14-15,17-18H,3,6-7,10-12H2,1H3
InChI Key:
GUCXHQANOYKSQM-UHFFFAOYSA-N
SMILES:
COC1(CCCCC1)C(CC(c1ccccc1)O)O
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.365g/mol
Monoisotopic Mass:
264.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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