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15962-89-7 | 3,4-Hexanediol, 1,6-diphenyl-
CAS No: 15962-89-7 Catalog No: AG001R8U MDL No:
Product Description
Catalog Number:
AG001R8U
Chemical Name:
3,4-Hexanediol, 1,6-diphenyl-
CAS Number:
15962-89-7
Molecular Formula:
C18H22O2
Molecular Weight:
270.3661
IUPAC Name:
1,6-diphenylhexane-3,4-diol
InChI:
InChI=1S/C18H22O2/c19-17(13-11-15-7-3-1-4-8-15)18(20)14-12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2
InChI Key:
WTWXATXCCGIERN-UHFFFAOYSA-N
SMILES:
OC(C(CCc1ccccc1)O)CCc1ccccc1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.162g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.372g/mol
Monoisotopic Mass:
270.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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