6-nitro-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid

6-nitro-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid

CAS: 797030-53-6

Formula: C9H7NO6

SMILES: OC(=O)C1COC2=C(O1)C=CC(=C2)[N+]([O-])=O

IUPAC: 6-nitro-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid

InChI: InChI=1/C9H7NO6/c11-9(12)8-4-15-7-3-5(10(13)14)1-2-6(7)16-8/h1-3,8H,4H2,(H,11,12)

Composition: C (48.01%), H (3.13%), N (6.22%), O (42.63%)

Molar Mass: 225.156

Atom Count: 23

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	225.027336949
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	JSFQNXNIULHEFN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.17
Topological Polar Surface Area	98.9
Polarizability	19.11
Ring Count	2
Rotatable Bond Count	2

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