4-Hydroxy-3-nitrophenylacetic acid - CAS 10463-20-4

Name: 4-Hydroxy-3-nitrophenylacetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001440
Product Name:	4-Hydroxy-3-nitrophenylacetic acid
CAS:	10463-20-4
Synonyms:	2-(4-hydroxy-3-nitrophenyl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(4-hydroxy-3-nitrophenyl)acetic acid
Description:	4-Hydroxy-3-nitrophenylacetic acid (CAS# 10463-20-4) is excreted in the urine.
Molecular Weight:	197.14
Molecular Formula:	C8H7NO5
Canonical SMILES:	C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])O
InChI:	InChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)
InChI Key:	QBHBHOSRLDPIHG-UHFFFAOYSA-N
Boiling Point:	302.9 °C at 760 mmHg
Density:	1.435 g/cm³
Storage:	Sealed in dry, Store in freezer, under -20 °C
MDL:	MFCD00007122
LogP:	1.45070

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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
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

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

Publication Number	Title	Priority Date
CN-111281973-A	Vaccine adjuvant containing TRPV2 agonist and application thereof	20200331
CN-113262298-A	Vaccine adjuvant containing TRPV2 agonist and application thereof	20200331
WO-2021107013-A1	Adjuvant composition	20191129
WO-2021067490-A1	Compounds, compositions and methods for treating nash, nafld, and obesity	20191001
CN-109438189-A	A kind of synthetic method of 3,4- dihydroxyphenyl ethanol	20181102

PMID	Publication Date	Title	Journal
21932446	20111201	Early B blasts acquire a capacity for Ig class switch recombination that is lost as they become plasmablasts	European journal of immunology
21544204	20110422	A soluble form of the high affinity IgE receptor, Fc-epsilon-RI, circulates in human serum	PloS one
21421736	20110401	Characterization of memory B cells responsible for affinity maturation of anti- (4-hydroxy-3-nitrophenyl)acetyl (NP) antibodies	International immunology
21169545	20110115	IL-21 receptor is critical for the development of memory B cell responses	Journal of immunology (Baltimore, Md. : 1950)
20961619	20101101	The amino acid residue at position 95 and the third CDR region in the H chain determine the ceiling affinity and the maturation pathway of an anti-(4-hydroxy-3-nitrophenyl)acetyl antibody	Molecular immunology

Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.03242232
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	197.03242232
Rotatable Bond Count:	2
Topological Polar Surface Area:	103 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5