3,4-dihydroxy-5-nitrobenzoic acid

3,4-dihydroxy-5-nitrobenzoic acid

CAS: 84211-30-3

Formula: C7H5NO6

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

IUPAC: 3,4-dihydroxy-5-nitrobenzoic acid

InChI: InChI=1S/C7H5NO6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H,(H,11,12)

Composition: C (42.22%), H (2.53%), N (7.03%), O (48.21%)

Molar Mass: 199.118

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.011686885
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	HDPSONAKHMNQPA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.6
Topological Polar Surface Area	120.9
Polarizability	16.06
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	84211-30-3		$15.53-$212.18$15.53$18.63$55.89$212.18

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