200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 113567-95-6
113567-95-6 | 2,5-Oxepindione
CAS No: 113567-95-6 Catalog No: AG00090J MDL No:
Product Description
Catalog Number:
AG00090J
Chemical Name:
2,5-Oxepindione
CAS Number:
113567-95-6
Molecular Formula:
C6H4O3
Molecular Weight:
124.0942
IUPAC Name:
oxepine-2,5-dione
InChI:
InChI=1S/C6H4O3/c7-5-1-2-6(8)9-4-3-5/h1-4H
InChI Key:
KHRCPRFNDVZQRR-UHFFFAOYSA-N
SMILES:
O=c1ccoc(=O)cc1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.016g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.095g/mol
Monoisotopic Mass:
124.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.