5-Hydroxy-2-nitrobenzoic Acid - CAS 610-37-7

Catalog:	BB030915
Product Name:	5-Hydroxy-2-nitrobenzoic Acid
CAS:	610-37-7
Synonyms:	5-hydroxy-2-nitrobenzoic acid; 5-hydroxy-2-nitrobenzoic acid

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Computed Properties

IUPAC Name:	5-hydroxy-2-nitrobenzoic acid
Description:	5-Hydroxy-2-nitrobenzoic Acid (CAS# 610-37-7) is a useful research chemical.
Molecular Weight:	183.12
Molecular Formula:	C7H5NO5
Canonical SMILES:	C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]
InChI:	InChI=1S/C7H5NO5/c9-4-1-2-6(8(12)13)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChI Key:	BUHKQTKKZAXSMH-UHFFFAOYSA-N
Boiling Point:	455 °C at 760 mmHg
Density:	1.631 g/cm³
LogP:	1.52180

Publication Number	Title	Priority Date
WO-2021110860-A1	Reactive conjugates	20191203
CN-112409332-A	Triazole derivative and application thereof in medicines	20190823
CN-111410659-A	PDE9 inhibitors and uses thereof	20190108
WO-2020143626-A1	Pde9 inhibitor and use thereof	20190108
TW-202043221-A	PDE9 inhibitor and its use	20190108

PMID	Publication Date	Title	Journal
17822740	20080201	Decomposition of 14C-fenitrothion under the influence of UV and sunlight under tropical and subtropical conditions	Chemosphere

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.01677226
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	183.01677226
Rotatable Bond Count:	1
Topological Polar Surface Area:	103 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1