5-Methoxy-2-nitrophenylacetic Acid - CAS 20876-29-3

Catalog:	BB016369
Product Name:	5-Methoxy-2-nitrophenylacetic Acid
CAS:	20876-29-3
Synonyms:	2-(5-methoxy-2-nitrophenyl)acetic acid; 2-(5-methoxy-2-nitrophenyl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(5-methoxy-2-nitrophenyl)acetic acid
Description:	5-Methoxy-2-nitrophenylacetic Acid (CAS# 20876-29-3) is a useful research chemical.
Molecular Weight:	211.17
Molecular Formula:	C9H9NO5
Canonical SMILES:	COC1=CC(=C(C=C1)[N+](=O)[O-])CC(=O)O
InChI:	InChI=1S/C9H9NO5/c1-15-7-2-3-8(10(13)14)6(4-7)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChI Key:	QBRHCFNZQWZEQM-UHFFFAOYSA-N
Boiling Point:	404.7 °C at 760 mmHg
Density:	1.382 g/cm³
MDL:	MFCD00047735
LogP:	1.75370

Publication Number	Title	Priority Date
CN-112047933-A	Quinazolinone USP7 inhibitor and preparation method and application thereof	20201015
TW-201938170-A	Triazolobenzopyrene as a vasopressin V1a receptor antagonist	20171215
WO-2019116324-A1	Triazolobenzazepines as vasopressin v1a receptor antagonists	20171215
AU-2018385724-A1	Triazolobenzazepines as vasopressin V1a receptor antagonists	20171215
BR-112020011880-A2	compound, pharmaceutical and combination compositions, process for preparing a pharmaceutical composition, use of a compound, method for treating and / or preventing a disease or condition associated with v1a receptor function, and, combination.	20171215

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Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.04807239
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	211.04807239
Rotatable Bond Count:	3
Topological Polar Surface Area:	92.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2