3-(Methoxycarbonyl)-4-nitrobenzoic Acid - CAS 64152-09-6

Catalog:	BB032381
Product Name:	3-(Methoxycarbonyl)-4-nitrobenzoic Acid
CAS:	64152-09-6
Synonyms:	3-methoxycarbonyl-4-nitrobenzoic acid; 3-methoxycarbonyl-4-nitrobenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-methoxycarbonyl-4-nitrobenzoic acid
Description:	3-(Methoxycarbonyl)-4-nitrobenzoic Acid (CAS# 64152-09-6) is a useful research chemical.
Molecular Weight:	225.15
Molecular Formula:	C9H7NO6
Canonical SMILES:	COC(=O)C1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
InChI:	InChI=1S/C9H7NO6/c1-16-9(13)6-4-5(8(11)12)2-3-7(6)10(14)15/h2-4H,1H3,(H,11,12)
InChI Key:	KRACQAXEQJJYLE-UHFFFAOYSA-N
Boiling Point:	415.924 °C at 760 mmHg
Density:	1.484 g/cm³
LogP:	1.60280

Publication Number	Title	Priority Date
CN-113072597-A	Method for synthesizing On-DNA carbonyl diazacyclo compound	20200103
AU-2015311333-A1	Quinolinone compound and use thereof	20140902
AU-2015311333-B2	Quinolinone compound and use thereof	20140902
EP-3190104-A1	Quinolinone compound and use thereof	20140902
JP-2017525737-A	Quinolinone compounds and their use in drugs	20140902

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

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:	310
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.02733694
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	225.02733694
Rotatable Bond Count:	3
Topological Polar Surface Area:	109 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2