3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde - CAS 178686-24-3

Catalog:	BB013497
Product Name:	3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde
CAS:	178686-24-3
Synonyms:	3-ethoxy-4-hydroxy-5-nitrobenzaldehyde; 3-ethoxy-4-hydroxy-5-nitrobenzaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	3-ethoxy-4-hydroxy-5-nitrobenzaldehyde
Description:	3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde (CAS# 178686-24-3) is a useful research chemical.
Molecular Weight:	211.17
Molecular Formula:	C9H9NO5
Canonical SMILES:	CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C=O
InChI:	InChI=1S/C9H9NO5/c1-2-15-8-4-6(5-11)3-7(9(8)12)10(13)14/h3-5,12H,2H2,1H3
InChI Key:	MDWLNBVKBMKTKN-UHFFFAOYSA-N
Boiling Point:	332.5 °C at 760 mmHg
Density:	1.39 g/cm³
LogP:	2.03480

Publication Number	Title	Priority Date
DK-2592934-T3	NOVEL dihydropyridin-2 (1H) -one compounds as S-NITROSOGLUTATHIONREDUKTASEINHIBITORER and neurokinin-3 receptor antagonists	20100716
EP-2592934-A1	Novel dihydropyridin-2(1h)-one compounds as s-nitrosoglutathione reductase inhibitors and neurokinin-3 receptor antagonists	20100716
EP-2592934-B1	Novel dihydropyridin-2(1h)-one compounds as s-nitrosoglutathione reductase inhibitors and neurokinin-3 receptor antagonists	20100716
ES-2550939-T3	New dihydropyridin-2- (1H) -one compounds as S-nitrosoglutathione reductase inhibitors and neurocinin-3 receptor antagonists	20100716
US-2013096161-A1	Novel Dihydropyridin-2(1H)-One Compounds as S-Nitrosoglutathione Reductase Inhibitors and Neurokinin-3 Receptor Antagonists	20100716

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[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
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Complexity:	239
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:	1.7