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16430-09-4 | 4-Benzylidene-3-methyl-2-isoxazoline-5-one
CAS No: 16430-09-4 Catalog No: AG00AVEW MDL No:
Product Description
Catalog Number:
AG00AVEW
Chemical Name:
4-Benzylidene-3-methyl-2-isoxazoline-5-one
CAS Number:
16430-09-4
IUPAC Name:
(4E)-4-benzylidene-3-methyl-1,2-oxazol-5-one
InChI:
InChI=1S/C11H9NO2/c1-8-10(11(13)14-12-8)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+
InChI Key:
KNHMTOFSFRMLRQ-JXMROGBWSA-N
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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