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99761-32-7 | 2-(4-ETHOXYPHENOXY)PROPANOIC ACID
CAS No: 99761-32-7 Catalog No: AG003WH6 MDL No:MFCD03419317
Product Description
Catalog Number:
AG003WH6
Chemical Name:
2-(4-ETHOXYPHENOXY)PROPANOIC ACID
CAS Number:
99761-32-7
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
MDL Number:
MFCD03419317
IUPAC Name:
2-(4-ethoxyphenoxy)propanoic acid
InChI:
InChI=1S/C11H14O4/c1-3-14-9-4-6-10(7-5-9)15-8(2)11(12)13/h4-8H,3H2,1-2H3,(H,12,13)
InChI Key:
VNQCEHOLSJDEMQ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)OC(C(=O)O)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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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