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141765-56-2 | 1,5-Hexanediol, 5-phenyl-
CAS No: 141765-56-2 Catalog No: AG001H0I MDL No:
Product Description
Catalog Number:
AG001H0I
Chemical Name:
1,5-Hexanediol, 5-phenyl-
CAS Number:
141765-56-2
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
5-phenylhexane-1,5-diol
InChI:
InChI=1S/C12H18O2/c1-12(14,9-5-6-10-13)11-7-3-2-4-8-11/h2-4,7-8,13-14H,5-6,9-10H2,1H3
InChI Key:
WSSPLMMVALBURL-UHFFFAOYSA-N
SMILES:
OCCCCC(c1ccccc1)(O)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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