2-Iodo-4,5-dimethoxybenzoic Acid - CAS 61203-48-3

Catalog:	BB030997
Product Name:	2-Iodo-4,5-dimethoxybenzoic Acid
CAS:	61203-48-3
Synonyms:	2-iodo-4,5-dimethoxybenzoic acid; 2-iodo-4,5-dimethoxybenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-iodo-4,5-dimethoxybenzoic acid
Description:	2-Iodo-4,5-dimethoxybenzoic Acid (CAS# 61203-48-3) is a useful research chemical.
Molecular Weight:	308.07
Molecular Formula:	C9H9IO4
Canonical SMILES:	COC1=C(C=C(C(=C1)C(=O)O)I)OC
InChI:	InChI=1S/C9H9IO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H,11,12)
InChI Key:	HLLHFIIJEOARHX-UHFFFAOYSA-N
Boiling Point:	367.9 °C at 760 mmHg
Density:	1.79 g/cm³
MDL:	MFCD00079751
LogP:	2.00660

Publication Number	Title	Priority Date
WO-2021028935-A1	Heterocyclic compounds, and their use as allosteric modulators of 5-hydroxytryptamine 2c receptor (5-ht2cr)	20190812
WO-2013050938-A1	3,7-diazabicyclo[3.3.1]nonane and 9-oxa-3,7-diazabicyclo[3.3.1]nonane derivatives	20111004
CN-102838579-A	Method for preparing 1,3,6,7-tetrahydroxy xanthone	20110620
CN-102838579-B	Method for preparing 1,3,6,7-tetrahydroxy xanthone	20110620
US-2013338202-A1	Compounds for the treatment of neurodegenerative diseases	20110303

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[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
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	307.95456
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	307.95456
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2