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129747-41-7 | Isoxazole, 5-(3-methylphenyl)- (9CI)
CAS No: 129747-41-7 Catalog No: AG00AIJR MDL No:
Product Description
Catalog Number:
AG00AIJR
Chemical Name:
Isoxazole, 5-(3-methylphenyl)- (9CI)
CAS Number:
129747-41-7
IUPAC Name:
5-(3-methylphenyl)-1,2-oxazole
InChI:
InChI=1S/C10H9NO/c1-8-3-2-4-9(7-8)10-5-6-11-12-10/h2-7H,1H3
InChI Key:
NSVPDKKWSHIUQN-UHFFFAOYSA-N
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| 2-Amino-3-cyano-4-(5-arylisoxazol-3-yl)-4H-chromenes: synthesis and in vitro cytotoxic activity. | Archiv der Pharmazie 20120501 |
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