200,000+ products from a single source!
sales@angenechem.com
29871-83-8 | 5(2H)-Isoxazolone,3-methyl-
CAS No: 29871-83-8 Catalog No: AG007K35 MDL No:
Product Description
Catalog Number:
AG007K35
Chemical Name:
5(2H)-Isoxazolone,3-methyl-
CAS Number:
29871-83-8
Molecular Formula:
C4H5NO2
Molecular Weight:
99.0880
IUPAC Name:
3-methyl-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C4H5NO2/c1-3-2-4(6)7-5-3/h2,5H,1H3
InChI Key:
BMPXDMCZKAPJDC-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)o[nH]1
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.032g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
99.089g/mol
Monoisotopic Mass:
99.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Synthesis of N-confused porphyrin derivatives with a substituted 3-C position. | The Journal of organic chemistry 20110401 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.