200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 76530-89-7
76530-89-7 | 2-Propen-1-one,1,3-bis(1,3-benzodioxol-5-yl)-
CAS No: 76530-89-7 Catalog No: AG005BJC MDL No:
Product Description
Catalog Number:
AG005BJC
Chemical Name:
2-Propen-1-one,1,3-bis(1,3-benzodioxol-5-yl)-
CAS Number:
76530-89-7
Molecular Formula:
C17H12O5
Molecular Weight:
296.2742
IUPAC Name:
(E)-1,3-bis(1,3-benzodioxol-5-yl)prop-2-en-1-one
InChI:
InChI=1S/C17H12O5/c18-13(12-3-6-15-17(8-12)22-10-20-15)4-1-11-2-5-14-16(7-11)21-9-19-14/h1-8H,9-10H2/b4-1+
InChI Key:
BJVBIPGXQAUWBA-DAFODLJHSA-N
SMILES:
O=C(c1ccc2c(c1)OCO2)C=Cc1ccc2c(c1)OCO2
NSC Number:
162494
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
296.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.278g/mol
Monoisotopic Mass:
296.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Synthesis, biological evaluation, and molecular modeling of chalcone derivatives as potent inhibitors of Mycobacterium tuberculosis protein tyrosine phosphatases (PtpA and PtpB). | Journal of medicinal chemistry 20120112 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.