200,000+ products from a single source!
sales@angenechem.com
99662-41-6 | (E)-4-(3-METHYL-5-ISOXAZOLYL)-3-BUTEN-2-ONE
CAS No: 99662-41-6 Catalog No: AG0065I3 MDL No:
Product Description
Catalog Number:
AG0065I3
Chemical Name:
(E)-4-(3-METHYL-5-ISOXAZOLYL)-3-BUTEN-2-ONE
CAS Number:
99662-41-6
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
IUPAC Name:
4-(3-methyl-1,2-oxazol-5-yl)but-3-en-2-one
InChI:
InChI=1S/C8H9NO2/c1-6-5-8(11-9-6)4-3-7(2)10/h3-5H,1-2H3
InChI Key:
XMRVDLKBKRBEFY-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C/c1onc(c1)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.