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189438-16-2 | 1,3-Benzenedimethanol, 5-[(phenylmethoxy)methyl]-
CAS No: 189438-16-2 Catalog No: AG002DOB MDL No:
Product Description
Catalog Number:
AG002DOB
Chemical Name:
1,3-Benzenedimethanol, 5-[(phenylmethoxy)methyl]-
CAS Number:
189438-16-2
Molecular Formula:
C16H18O3
Molecular Weight:
258.3123
IUPAC Name:
[3-(hydroxymethyl)-5-(phenylmethoxymethyl)phenyl]methanol
InChI:
InChI=1S/C16H18O3/c17-9-14-6-15(10-18)8-16(7-14)12-19-11-13-4-2-1-3-5-13/h1-8,17-18H,9-12H2
InChI Key:
LOFCJRDRFJXXGW-UHFFFAOYSA-N
SMILES:
OCc1cc(COCc2ccccc2)cc(c1)CO
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.317g/mol
Monoisotopic Mass:
258.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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