3-(2-Nitrophenoxy)propionic Acid - CAS 6336-59-0

Catalog:	BB032118
Product Name:	3-(2-Nitrophenoxy)propionic Acid
CAS:	6336-59-0
Synonyms:	3-(2-nitrophenoxy)propanoic acid; 3-(2-nitrophenoxy)propanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-(2-nitrophenoxy)propanoic acid
Description:	3-(2-Nitrophenoxy)propionic Acid (CAS# 6336-59-0) is a useful research chemical.
Molecular Weight:	211.17
Molecular Formula:	C9H9NO5
Canonical SMILES:	C1=CC=C(C(=C1)[N+](=O)[O-])OCCC(=O)O
InChI:	InChI=1S/C9H9NO5/c11-9(12)5-6-15-8-4-2-1-3-7(8)10(13)14/h1-4H,5-6H2,(H,11,12)
InChI Key:	AKIYJDFJPJUROC-UHFFFAOYSA-N
Boiling Point:	373.7 °C at 760 mmHg
Density:	1.38 g/cm³
LogP:	1.97150

Publication Number	Title	Priority Date
CN-106349233-A	3,4-diphenyl-4H-1,2,4-triazole derivative as well as preparation method and application thereof	20150715
CN-106349233-B	3, 4-diphenyl-4H-1, 2, 4-triazole derivative and preparation method and application thereof	20150715
EP-1475368-A1	N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient	20020214
US-2005101600-A1	N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient	20020214
US-7368444-B2	N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient	20020214

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Complexity:	237
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:	4
Topological Polar Surface Area:	92.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2