AG00ECYX

5650-52-2 | 4,5-Dihydrocyclopenta[b]thiophen-6-one

AG00ECYX

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CAS Number	5650-52-2
Catalog Number	AG00ECYX(AGN-PC-0JOVNY)
Chemical Name	4,5-Dihydrocyclopenta[b]thiophen-6-one
IUPAC Name	4,5-dihydrocyclopenta[b]thiophen-6-one
InChI	InChI=1S/C7H6OS/c8-6-2-1-5-3-4-9-7(5)6/h3-4H,1-2H2
InChI Key	QHZITEHQKWPDJE-UHFFFAOYSA-N
MDL Number	MFCD03426936
Molecular Formula	C7H6OS
Molecular Weight	138.1869
NSC Number	241111
SMILES	O=C1c2c(CC1)ccs2
Synonyms	4H-Cyclopenta[b]thiophen-6(5H)-one, 5650-52-2, 4,5-dihydrocyclopenta[b]thiophen-6-one, 4H,5H,6H-cyclopenta[b]thiophen-6-one, 4,5-dihydro-6H-cyclopenta[b]thiophen-6-one, 6H-Cyclopenta[b]thiophen-6-one, 4,5-dihydro-, NSC241111, PubChem18321, AC1L7S2D, SCHEMBL350515, CTK5A5238, KS-00000NUZ, DTXSID50311299, QHZITEHQKWPDJE-UHFFFAOYSA-N, ZINC1763571, 4H,5H-cyclopenta[b]thiophen-6-one, ANW-49443, CD0114, FCH847829, MFCD03426936, AKOS006280045, 4H-Cyclopenta[b]thiophen-6(5H);-one, CD-1607, CS-W003073, GS-4039, NSC-241111, RP20469, 4,5-dihydro-cyclopenta[b]thiophen-6-one, AJ-31613, AK-38055, BR-38055, SC-22956, SY027678, AB0025534, AX8092601, ST2418538, TC-138188, 4CH-005480, AM20100391, FT-0084604, FT-0660291, W7014, 4,5-Dihydro-6H-cyclopenta[b]thiophene-6-one, MFCD03426936 (95%), 6H-Cyclopenta[b]thiophen-6-one,4,5-dihydro-, EN300-136799, S-6676, 650D522, J-515445, I14-17051, C7H6OS, 2-(Allyloxy)-4-nitrobenzyl Bromide, CID315614, ACN-029346,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.014g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	138.184g/mol
Monoisotopic Mass	138.014g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number