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136416-18-7 | Benzenepropanol, 3-(phenylmethyl)-
CAS No: 136416-18-7 Catalog No: AG0011V3 MDL No:
Product Description
Catalog Number:
AG0011V3
Chemical Name:
Benzenepropanol, 3-(phenylmethyl)-
CAS Number:
136416-18-7
Molecular Formula:
C16H18O
Molecular Weight:
226.3135
IUPAC Name:
3-(3-benzylphenyl)propan-1-ol
InChI:
InChI=1S/C16H18O/c17-11-5-10-15-8-4-9-16(13-15)12-14-6-2-1-3-7-14/h1-4,6-9,13,17H,5,10-12H2
InChI Key:
FXSBQOMJPAJYKN-UHFFFAOYSA-N
SMILES:
OCCCc1cccc(c1)Cc1ccccc1
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.319g/mol
Monoisotopic Mass:
226.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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