AG00HXTO

1508068-71-0 | 1,3,3a,4,6,6a-hexahydrocyclopenta[c]thiophen-5-one

AG00HXTO

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CAS Number	1508068-71-0
Catalog Number	AG00HXTO(AGN-PC-0WBQXC)
Chemical Name	1,3,3a,4,6,6a-hexahydrocyclopenta[c]thiophen-5-one
IUPAC Name	1,3,3a,4,6,6a-hexahydrocyclopenta[c]thiophen-5-one
InChI	InChI=1S/C7H10OS/c8-7-1-5-3-9-4-6(5)2-7/h5-6H,1-4H2
InChI Key	WGUHSXWRJNEGPK-UHFFFAOYSA-N
MDL Number	MFCD24737708
Molecular Formula	C7H10OS
Molecular Weight	142.2187
SMILES	O=C1CC2CSCC2C1
Synonyms	1508068-71-0, hexahydro-1H-cyclopenta[c]thiophen-5-one, 1,3,3a,4,6,6a-Hexahydrocyclopenta[c]thiophen-5-one, Tetrahydro-1H-cyclopenta[c]thiophen-5(3H)-one, KS-000004LV, MFCD24737708, AKOS023201024, FCH2059484, SB12102, AK171047, AS-34057, CS-0049344,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.045g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	142.216g/mol
Monoisotopic Mass	142.045g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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