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31301-36-7 | 5-Benzoyl-3-methylisoxazole
CAS No: 31301-36-7 Catalog No: AG00CPNQ MDL No:
Product Description
Catalog Number:
AG00CPNQ
Chemical Name:
5-Benzoyl-3-methylisoxazole
CAS Number:
31301-36-7
IUPAC Name:
(3-methyl-1,2-oxazol-5-yl)-phenylmethanone
InChI:
InChI=1S/C11H9NO2/c1-8-7-10(14-12-8)11(13)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
JKEWPPCTIBKQGO-UHFFFAOYSA-N
NSC Number:
255003
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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