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14532-32-2 | 5(4H)-Isoxazolone, 4-[(5-hydroxy-3-methyl-4-isoxazolyl)methylene]-3-methyl-
CAS No: 14532-32-2 Catalog No: AG001KTB MDL No:
Product Description
Catalog Number:
AG001KTB
Chemical Name:
5(4H)-Isoxazolone, 4-[(5-hydroxy-3-methyl-4-isoxazolyl)methylene]-3-methyl-
CAS Number:
14532-32-2
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
IUPAC Name:
3-methyl-4-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)methylidene]-1,2-oxazol-5-one
InChI:
InChI=1S/C9H8N2O4/c1-4-6(8(12)14-10-4)3-7-5(2)11-15-9(7)13/h3,10H,1-2H3
InChI Key:
MQOVAKQJAKULLB-UHFFFAOYSA-N
SMILES:
O=C1ON=C(C1=Cc1c(O)onc1C)C
EC Number:
238-560-5
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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