AG001TKG

162959-94-6 | Cyclopropanecarboxylic acid, 1-(2-thienyl)-

AG001TKG

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CAS Number	162959-94-6
Catalog Number	AG001TKG(AGN-PC-024TKT)
Chemical Name	Cyclopropanecarboxylic acid, 1-(2-thienyl)-
IUPAC Name	1-thiophen-2-ylcyclopropane-1-carboxylic acid
InChI	InChI=1S/C8H8O2S/c9-7(10)8(3-4-8)6-2-1-5-11-6/h1-2,5H,3-4H2,(H,9,10)
InChI Key	JZGVANXRGMMXGJ-UHFFFAOYSA-N
MDL Number	MFCD16622241
Molecular Formula	C8H8O2S
Molecular Weight	168.2129
SMILES	O=C(C1(C2=CC=CS2)CC1)O
Synonyms	1-(Thiophen-2-yl)cyclopropanecarboxylic acid, 162959-94-6, 1-(thien-2-yl)cyclopropanecarboxylic acid, 1-(thiophen-2-yl)cyclopropane-1-carboxylic acid, Cyclopropanecarboxylic acid, 1-(2-thienyl)-, SCHEMBL2795442, CTK8B6194, DTXSID00597026, JZGVANXRGMMXGJ-UHFFFAOYSA-N, 8272AA, ANW-52919, MFCD16622241, ZINC52902387, AKOS011792431, AM90252, CS-W021264, QC-4565, 1-Thien-2-ylcyclopropanecarboxylic acid, KS-00000Q20, 1-(2-thienyl)cyclopropanecarboxylic acid, AK-94307, SC-96411, TS-02282, 1-(2-Thienyl)-cyclopropanecarboxylic acid, 1-thiophen-2-ylcyclopropanecarboxylic acid, 1-thiophen-2-yl-cyclopropanecarboxylic acid, AJ-112138, TC-141664, 4CH-011797, FT-0697785, ST24021201, F10111, Q-9205, F2189-0513, C8H8O2S,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.025g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.21g/mol
Monoisotopic Mass	168.025g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

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