3-formyl-4-nitrobenzoic acid

3-formyl-4-nitrobenzoic acid

Formula: C8H5NO5

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

IUPAC: 3-formyl-4-nitrobenzoic acid

InChI: InChI=1S/C8H5NO5/c10-4-6-3-5(8(11)12)1-2-7(6)9(13)14/h1-4H,(H,11,12)

Composition: C (49.24%), H (2.58%), N (7.18%), O (41.00%)

Molar Mass: 195.13

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	195.016772265
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	SPTXSDMRZNPVKQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.22
Topological Polar Surface Area	97.51
Polarizability	16.62
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C8H5NO5		Quote Only