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131064-87-4 | 1,2-Propanediol, 3-(4-methoxyphenoxy)-, (2R)-
CAS No: 131064-87-4 Catalog No: AG000VHB MDL No:
Product Description
Catalog Number:
AG000VHB
Chemical Name:
1,2-Propanediol, 3-(4-methoxyphenoxy)-, (2R)-
CAS Number:
131064-87-4
Molecular Formula:
C10H14O4
Molecular Weight:
198.2158
IUPAC Name:
(2R)-3-(4-methoxyphenoxy)propane-1,2-diol
InChI:
InChI=1S/C10H14O4/c1-13-9-2-4-10(5-3-9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3/t8-/m1/s1
InChI Key:
UWZDUHTYIUMENV-MRVPVSSYSA-N
SMILES:
OC[C@H](COc1ccc(cc1)OC)O
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
198.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.218g/mol
Monoisotopic Mass:
198.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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