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20349-89-7 | Benzenepropanoic acid, 2-hydroxy-, methyl ester
CAS No: 20349-89-7 Catalog No: AG0028XE MDL No:MFCD00067757
Product Description
Catalog Number:
AG0028XE
Chemical Name:
Benzenepropanoic acid, 2-hydroxy-, methyl ester
CAS Number:
20349-89-7
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD00067757
IUPAC Name:
methyl 3-(2-hydroxyphenyl)propanoate
InChI:
InChI=1S/C10H12O3/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-5,11H,6-7H2,1H3
InChI Key:
YHXYRISRGHSPNV-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1ccccc1O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Antioxidant and radical scavenging properties of Malva sylvestris. | Natural product communications 20090701 |
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