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1786-87-4

1786-87-4 | 1,3-Benzenedicarboperoxoic acid

CAS No: 1786-87-4 Catalog No: AG00266B MDL No:

Product Description

Catalog Number:
AG00266B
Chemical Name:
1,3-Benzenedicarboperoxoic acid
CAS Number:
1786-87-4
Molecular Formula:
C8H6O6
Molecular Weight:
198.1296
IUPAC Name:
benzene-1,3-dicarboperoxoic acid
InChI:
InChI=1S/C8H6O6/c9-7(13-11)5-2-1-3-6(4-5)8(10)14-12/h1-4,11-12H
InChI Key:
KXEMXOYVVPLGSD-UHFFFAOYSA-N
SMILES:
OOC(=O)c1cccc(c1)C(=O)OO
EC Number:
217-245-6

Properties

Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.016g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
198.13g/mol
Monoisotopic Mass:
198.016g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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