6-Nitronicotinic Acid - CAS 33225-73-9

Name: 6-Nitronicotinic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB021616
Product Name:	6-Nitronicotinic Acid
CAS:	33225-73-9
Synonyms:	6-nitro-3-pyridinecarboxylic acid; 6-nitropyridine-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	6-nitropyridine-3-carboxylic acid
Description:	6-Nitronicotinic Acid (CAS# 33225-73-9) is a useful research chemical.
Molecular Weight:	168.11
Molecular Formula:	C6H4N2O4
Canonical SMILES:	C1=CC(=NC=C1C(=O)O)[N+](=O)[O-]
InChI:	InChI=1S/C6H4N2O4/c9-6(10)4-1-2-5(7-3-4)8(11)12/h1-3H,(H,9,10)
InChI Key:	JHKLCZNDTUKHHI-UHFFFAOYSA-N
Boiling Point:	434.9 °C at 760 mmHg
Density:	1.57 g/cm³
MDL:	MFCD04114183
LogP:	1.21120

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.01710661
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.01710661
Rotatable Bond Count:	1
Topological Polar Surface Area:	96 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5