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31709-47-4 | 5(4H)-Isoxazolone,3-(4-methoxyphenyl)-
CAS No: 31709-47-4 Catalog No: AG007IP4 MDL No:MFCD00957098
Product Description
Catalog Number:
AG007IP4
Chemical Name:
5(4H)-Isoxazolone,3-(4-methoxyphenyl)-
CAS Number:
31709-47-4
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD00957098
IUPAC Name:
3-(4-methoxyphenyl)-4H-1,2-oxazol-5-one
InChI:
InChI=1S/C10H9NO3/c1-13-8-4-2-7(3-5-8)9-6-10(12)14-11-9/h2-5H,6H2,1H3
InChI Key:
QTBSYAAYOGYCLP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=NOC(=O)C1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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