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7309-52-6 | 2-(3-Methoxyphenoxy);propanoic acid
CAS No: 7309-52-6 Catalog No: AG003EU1 MDL No:MFCD01931912
Product Description
Catalog Number:
AG003EU1
Chemical Name:
2-(3-Methoxyphenoxy);propanoic acid
CAS Number:
7309-52-6
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD01931912
IUPAC Name:
2-(3-methoxyphenoxy)propanoic acid
InChI:
InChI=1S/C10H12O4/c1-7(10(11)12)14-9-5-3-4-8(6-9)13-2/h3-7H,1-2H3,(H,11,12)
InChI Key:
QAVOEPJGKZAZIG-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)OC(C(=O)O)C
NSC Number:
522962
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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