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13057-65-3 | Propanoic acid, 2-hydroxy-3-(2-methoxyphenoxy)-
CAS No: 13057-65-3 Catalog No: AG000UNF MDL No:
Product Description
Catalog Number:
AG000UNF
Chemical Name:
Propanoic acid, 2-hydroxy-3-(2-methoxyphenoxy)-
CAS Number:
13057-65-3
Molecular Formula:
C10H12O5
Molecular Weight:
212.1993
IUPAC Name:
2-hydroxy-3-(2-methoxyphenoxy)propanoic acid
InChI:
InChI=1S/C10H12O5/c1-14-8-4-2-3-5-9(8)15-6-7(11)10(12)13/h2-5,7,11H,6H2,1H3,(H,12,13)
InChI Key:
MXVBBOLVTSAHEX-UHFFFAOYSA-N
SMILES:
COc1ccccc1OCC(C(=O)O)O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.201g/mol
Monoisotopic Mass:
212.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Abuse of guaifenesin-containing medications generates an excess of a carboxylate salt of beta-(2-methoxyphenoxy)-lactic acid, a guaifenesin metabolite, and results in urolithiasis. | Urology 19990701 |
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