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24503-23-9 | 5(4H)-Oxazolone,2,4,4-trimethyl-(9CI)
CAS No: 24503-23-9 Catalog No: AG00BTH5 MDL No:
Product Description
Catalog Number:
AG00BTH5
Chemical Name:
5(4H)-Oxazolone,2,4,4-trimethyl-(9CI)
CAS Number:
24503-23-9
IUPAC Name:
2,4,4-trimethyl-1,3-oxazol-5-one
InChI:
InChI=1S/C6H9NO2/c1-4-7-6(2,3)5(8)9-4/h1-3H3
InChI Key:
NYRLMMBEFNFNAS-UHFFFAOYSA-N
Properties
Complexity:
182
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:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Theoretical study of the acid-promoted hydrolysis of oxazolin-5-one: a microhydration model. | The journal of physical chemistry. B 20080828 |
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