200,000+ products from a single source!
sales@angenechem.com
29068-34-6 | 3(2H)-Isoxazolone, 5-methyl-4-(1-methylethyl)-
CAS No: 29068-34-6 Catalog No: AG002X8B MDL No:
Product Description
Catalog Number:
AG002X8B
Chemical Name:
3(2H)-Isoxazolone, 5-methyl-4-(1-methylethyl)-
CAS Number:
29068-34-6
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
IUPAC Name:
5-methyl-4-propan-2-yl-1,2-oxazol-3-one
InChI:
InChI=1S/C7H11NO2/c1-4(2)6-5(3)10-8-7(6)9/h4H,1-3H3,(H,8,9)
InChI Key:
UZGKMCGYYMTXDG-UHFFFAOYSA-N
SMILES:
CC(c1c(C)o[nH]c1=O)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.