Home Carboxys 7-nitro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

7-nitro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

CAS No.:
66410-87-5
Catalog Number:
AG01A9X3
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
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Product Description
Catalog Number:
AG01A9X3
Chemical Name:
7-nitro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CAS Number:
66410-87-5
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
MDL Number:
MFCD12106351
IUPAC Name:
7-nitro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
InChI:
InChI=1S/C9H7NO6/c11-9(12)6-3-5(10(13)14)4-7-8(6)16-2-1-15-7/h3-4H,1-2H2,(H,11,12)
InChI Key:
AVKRNLXCZBBZMD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc2c1OCCO2)[N+](=O)[O-]
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.027g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.156g/mol
Monoisotopic Mass:
225.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties