1-Ethynylcyclopropanecarboxylic Acid - CAS 933755-97-6

Catalog:	BB040890
Product Name:	1-Ethynylcyclopropanecarboxylic Acid
CAS:	933755-97-6
Synonyms:	1-ethynyl-1-cyclopropanecarboxylic acid; 1-ethynylcyclopropane-1-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-ethynylcyclopropane-1-carboxylic acid
Description:	1-Ethynylcyclopropanecarboxylic Acid (CAS# 933755-97-6) is a useful research chemical.
Molecular Weight:	110.11
Molecular Formula:	C6H6O2
Canonical SMILES:	C#CC1(CC1)C(=O)O
InChI:	InChI=1S/C6H6O2/c1-2-6(3-4-6)5(7)8/h1H,3-4H2,(H,7,8)
InChI Key:	XDVAOWPOJWYAHA-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD19231569
LogP:	0.48440

Publication Number	Title	Priority Date
AU-2018361364-A1	Novel, highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV)	20171102
CA-3081386-A1	Novel, highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis b virus (hbv)	20171102
TW-201930315-A	Novel highly active amino-thiazole-substituted guanidino-2-carboxamide with anti-hepatitis B virus (HBV) activity	20171102
WO-2019086141-A1	Novel, highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis b virus (hbv)	20171102
AU-2018361364-B2	Novel, highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV)	20171102

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.036779430
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	110.036779430
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3