2-(3-Methyl-4-nitrophenyl)acetic Acid - CAS 143665-37-6

Catalog:	BB009648
Product Name:	2-(3-Methyl-4-nitrophenyl)acetic Acid
CAS:	143665-37-6
Synonyms:	2-(3-methyl-4-nitrophenyl)acetic acid; 2-(3-methyl-4-nitrophenyl)acetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(3-methyl-4-nitrophenyl)acetic acid
Description:	2-(3-Methyl-4-nitrophenyl)acetic Acid (CAS# 143665-37-6) is a useful research chemical.
Molecular Weight:	195.17
Molecular Formula:	C9H9NO4
Canonical SMILES:	CC1=C(C=CC(=C1)CC(=O)O)[N+](=O)[O-]
InChI:	InChI=1S/C9H9NO4/c1-6-4-7(5-9(11)12)2-3-8(6)10(13)14/h2-4H,5H2,1H3,(H,11,12)
InChI Key:	NUYOXESWWGUDLP-UHFFFAOYSA-N
Boiling Point:	376.999 °C at 760 mmHg
Density:	1.346 g/cm³
Appearance:	Solid
MDL:	MFCD11036394
LogP:	2.05350

Publication Number	Title	Priority Date
WO-2021127586-A1	Protein tyrosine phosphatase degraders and methods of use thereof	20191220
CN-107488148-A	A kind of hydrocinnamamide insecticides and preparation method thereof	20170626
AU-2018228114-A1	AGENT ENHANCING ANTITUMOR EFFECT USING PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND	20170228
EP-3590516-A1	Antitumor-effect enhancer using pyrazolo[3,4-d]pyrimidine compound	20170228
JP-WO2018159613-A1	Antitumor effect enhancer using pyrazolo [3,4-d] pyrimidine compound	20170228

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[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:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.05315777
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.05315777
Rotatable Bond Count:	2
Topological Polar Surface Area:	83.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6