3-Hydroxy-4-methoxy-5-nitrobenzaldehyde - CAS 80547-69-9

Catalog:	BB036521
Product Name:	3-Hydroxy-4-methoxy-5-nitrobenzaldehyde
CAS:	80547-69-9
Synonyms:	3-hydroxy-4-methoxy-5-nitrobenzaldehyde; 3-hydroxy-4-methoxy-5-nitrobenzaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	3-hydroxy-4-methoxy-5-nitrobenzaldehyde
Description:	3-Hydroxy-4-methoxy-5-nitrobenzaldehyde (CAS# 80547-69-9 ) is a useful research chemical.
Molecular Weight:	197.14
Molecular Formula:	C8H7NO5
Canonical SMILES:	COC1=C(C=C(C=C1O)C=O)[N+](=O)[O-]
InChI:	InChI=1S/C8H7NO5/c1-14-8-6(9(12)13)2-5(4-10)3-7(8)11/h2-4,11H,1H3
InChI Key:	PYLFOUFNUBQBGP-UHFFFAOYSA-N
Boiling Point:	373 °C at 760 mmHg
Density:	1.456 g/cm³
LogP:	1.64470

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
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]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride

Complexity:	226
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	197.03242232
Rotatable Bond Count:	2
Topological Polar Surface Area:	92.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8