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14532-33-3 | 5(4H)-Isoxazolone, 4-[3-(5-hydroxy-3-methyl-4-isoxazolyl)-2-propen-1-ylidene]-3-methyl-
CAS No: 14532-33-3 Catalog No: AG001KTA MDL No:
Product Description
Catalog Number:
AG001KTA
Chemical Name:
5(4H)-Isoxazolone, 4-[3-(5-hydroxy-3-methyl-4-isoxazolyl)-2-propen-1-ylidene]-3-methyl-
CAS Number:
14532-33-3
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
IUPAC Name:
3-methyl-4-[3-(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)prop-2-enylidene]-1,2-oxazol-5-one
InChI:
InChI=1S/C11H10N2O4/c1-6-8(10(14)16-12-6)4-3-5-9-7(2)13-17-11(9)15/h3-5,12H,1-2H3
InChI Key:
VZFSNNVUKMJFNK-UHFFFAOYSA-N
SMILES:
O=C1ON=C(C1=CC=Cc1c(O)onc1C)C
EC Number:
238-561-0
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.211g/mol
Monoisotopic Mass:
234.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.6
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