Home Carboxys 7-nitro-2H-1,3-benzodioxole-5-carboxylic acid

7-nitro-2H-1,3-benzodioxole-5-carboxylic acid

CAS No.:
7112-72-3
Catalog Number:
AG01A5AB
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01A5AB
Chemical Name:
7-nitro-2H-1,3-benzodioxole-5-carboxylic acid
CAS Number:
7112-72-3
MDL Number:
MFCD12173032
IUPAC Name:
7-nitro-1,3-benzodioxole-5-carboxylic acid
InChI:
InChI=1S/C8H5NO6/c10-8(11)4-1-5(9(12)13)7-6(2-4)14-3-15-7/h1-2H,3H2,(H,10,11)
InChI Key:
AKXGHFHZVBDAQB-UHFFFAOYSA-N
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.012g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.129g/mol
Monoisotopic Mass:
211.012g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties