200,000+ products from a single source!
sales@angenechem.com
128156-32-1 | 5(2H)-Isoxazolone, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl-
CAS No: 128156-32-1 Catalog No: AG000XTH MDL No:
Product Description
Catalog Number:
AG000XTH
Chemical Name:
5(2H)-Isoxazolone, 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl-
CAS Number:
128156-32-1
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
4-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C12H11NO4/c1-7-9(12(14)17-13-7)4-8-2-3-10-11(5-8)16-6-15-10/h2-3,5,13H,4,6H2,1H3
InChI Key:
ZXRYDOWPIAWFIQ-UHFFFAOYSA-N
SMILES:
O=c1o[nH]c(c1Cc1ccc2c(c1)OCO2)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.