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16105-44-5 | 2-Benzoxazoleacetic acid, ethyl ester
CAS No: 16105-44-5 Catalog No: AG001VM4 MDL No:
Product Description
Catalog Number:
AG001VM4
Chemical Name:
2-Benzoxazoleacetic acid, ethyl ester
CAS Number:
16105-44-5
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
ethyl 2-(1,3-benzoxazol-2-yl)acetate
InChI:
InChI=1S/C11H11NO3/c1-2-14-11(13)7-10-12-8-5-3-4-6-9(8)15-10/h3-6H,2,7H2,1H3
InChI Key:
PEUNWNPBUTVGSI-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1nc2c(o1)cccc2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
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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