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113628-00-5 | 1-Heptanol, 2-(diphenylmethoxy)-
CAS No: 113628-00-5 Catalog No: AG000975 MDL No:
Product Description
Catalog Number:
AG000975
Chemical Name:
1-Heptanol, 2-(diphenylmethoxy)-
CAS Number:
113628-00-5
Molecular Formula:
C20H26O2
Molecular Weight:
298.4192
IUPAC Name:
2-benzhydryloxyheptan-1-ol
InChI:
InChI=1S/C20H26O2/c1-2-3-6-15-19(16-21)22-20(17-11-7-4-8-12-17)18-13-9-5-10-14-18/h4-5,7-14,19-21H,2-3,6,15-16H2,1H3
InChI Key:
ISHNBZCEAITGIS-UHFFFAOYSA-N
SMILES:
CCCCCC(OC(c1ccccc1)c1ccccc1)CO
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.193g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.426g/mol
Monoisotopic Mass:
298.193g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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