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868635-31-8 | 1,2-Propanediol, 3-(1-naphthalenylmethoxy)-, (2R)-
CAS No: 868635-31-8 Catalog No: AG004M6Y MDL No:
Product Description
Catalog Number:
AG004M6Y
Chemical Name:
1,2-Propanediol, 3-(1-naphthalenylmethoxy)-, (2R)-
CAS Number:
868635-31-8
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
IUPAC Name:
(2R)-3-(naphthalen-1-ylmethoxy)propane-1,2-diol
InChI:
InChI=1S/C14H16O3/c15-8-13(16)10-17-9-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,13,15-16H,8-10H2/t13-/m1/s1
InChI Key:
FWVQYIGNNATVQP-CYBMUJFWSA-N
SMILES:
OC[C@H](COCc1cccc2c1cccc2)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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