3-Chromanecarboxylic Acid - CAS 115822-57-6

Catalog:	BB003629
Product Name:	3-Chromanecarboxylic Acid
CAS:	115822-57-6
Synonyms:	3,4-dihydro-2H-1-benzopyran-3-carboxylic acid; 3,4-dihydro-2H-chromene-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,4-dihydro-2H-chromene-3-carboxylic acid
Description:	3-Chromanecarboxylic Acid (CAS# 115822-57-6) is a useful research chemical.
Molecular Weight:	178.18
Molecular Formula:	C10H10O3
Canonical SMILES:	C1C(COC2=CC=CC=C21)C(=O)O
InChI:	InChI=1S/C10H10O3/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-4,8H,5-6H2,(H,11,12)
InChI Key:	UGAGZMGJJFSKQM-UHFFFAOYSA-N
Boiling Point:	356.1 °C at 760 mmHg
Density:	1.276 g/cm³
Appearance:	White crystalline powder
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD03783554
LogP:	1.32230

Publication Number	Title	Priority Date
CN-109970721-B	Process for preparing 3-benzimidazole chromene derivatives	20190226
US-2020207749-A1	Compounds for use as therapeutically active substances in the treatment of retinal diseases	20181228
US-10807973-B2	Compounds for use as therapeutically active substances in the treatment of retinal diseases	20181228
WO-2020140050-A1	N-(4-(oxazol-5-yl)phenyl)chromane-3-carboxamide derivatives and related compounds as stimulators of the production of retinal precursor cells for the treatment of neuroretinal diseases	20181228
CN-113227086-A	N- (4- (oxazol-5-yl) phenyl) chroman-3-carboxamide derivatives and related compounds as stimulators of production of retinal precursor cells for the treatment of neuroretinal diseases	20181228

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[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
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

GHS Hazard Statement:	H302 (100%): 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:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.062994177
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.062994177
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5