200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 87191-93-3
87191-93-3 | 3-(benzo[1,3]dioxol-5-ylmethylidene)oxolane-2,4-dione
CAS No: 87191-93-3 Catalog No: AG004JYI MDL No:
Product Description
Catalog Number:
AG004JYI
Chemical Name:
3-(benzo[1,3]dioxol-5-ylmethylidene)oxolane-2,4-dione
CAS Number:
87191-93-3
Molecular Formula:
C12H8O5
Molecular Weight:
232.1889
IUPAC Name:
(3E)-3-(1,3-benzodioxol-5-ylmethylidene)oxolane-2,4-dione
InChI:
InChI=1S/C12H8O5/c13-9-5-15-12(14)8(9)3-7-1-2-10-11(4-7)17-6-16-10/h1-4H,5-6H2/b8-3+
InChI Key:
WMDLMQGCPDNRAX-FPYGCLRLSA-N
SMILES:
O=C1OCC(=O)C1=Cc1ccc2c(c1)OCO2
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
232.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.191g/mol
Monoisotopic Mass:
232.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.