2,3-dihydroxy-5-nitrobenzaldehyde

2,3-dihydroxy-5-nitrobenzaldehyde

CAS: 52924-54-6

Formula: C7H5NO5

SMILES: OC1=C(O)C(C=O)=CC(=C1)[N+]([O-])=O

IUPAC: 2,3-dihydroxy-5-nitrobenzaldehyde

InChI: InChI=1S/C7H5NO5/c9-3-4-1-5(8(12)13)2-6(10)7(4)11/h1-3,10-11H

Composition: C (45.91%), H (2.75%), N (7.65%), O (43.68%)

Molar Mass: 183.119

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	183.016772265
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	SCSROOBIOOCHHI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.92
Topological Polar Surface Area	100.67
Polarizability	15.51
Ring Count	1
Rotatable Bond Count	2

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