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7713-68-0 | 5(2H)-Isoxazolone, 2,3,4-trimethyl-
CAS No: 7713-68-0 Catalog No: AG00565R MDL No:
Product Description
Catalog Number:
AG00565R
Chemical Name:
5(2H)-Isoxazolone, 2,3,4-trimethyl-
CAS Number:
7713-68-0
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
IUPAC Name:
2,3,4-trimethyl-1,2-oxazol-5-one
InChI:
InChI=1S/C6H9NO2/c1-4-5(2)7(3)9-6(4)8/h1-3H3
InChI Key:
DPWBYIUCNUXITQ-UHFFFAOYSA-N
SMILES:
O=c1on(c(c1C)C)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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