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123561-21-7

123561-21-7 | 1,3-Benzenedicarboperoxoic acid, 5-amino-

CAS No: 123561-21-7 Catalog No: AG000KSO MDL No:

Product Description

Catalog Number:
AG000KSO
Chemical Name:
1,3-Benzenedicarboperoxoic acid, 5-amino-
CAS Number:
123561-21-7
Molecular Formula:
C8H7NO6
Molecular Weight:
213.1443
IUPAC Name:
5-aminobenzene-1,3-dicarboperoxoic acid
InChI:
InChI=1S/C8H7NO6/c9-6-2-4(7(10)14-12)1-5(3-6)8(11)15-13/h1-3,12-13H,9H2
InChI Key:
JTWPXSJKVOPVQV-UHFFFAOYSA-N
SMILES:
OOC(=O)c1cc(N)cc(c1)C(=O)OO

Properties

Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.027g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
213.145g/mol
Monoisotopic Mass:
213.027g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0

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