AG003K0J

874-83-9 | (3E)-4-(Thiophen-2-yl)but-3-en-2-one

AG003K0J

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CAS Number	874-83-9
Catalog Number	AG003K0J(AGN-PC-067VFG)
Chemical Name	(3E)-4-(Thiophen-2-yl)but-3-en-2-one
IUPAC Name	(E)-4-thiophen-2-ylbut-3-en-2-one
InChI	InChI=1S/C8H8OS/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3/b5-4+
InChI Key	CIMALVIHZVKKPE-SNAWJCMRSA-N
MDL Number	MFCD01116430
Molecular Formula	C8H8OS
Molecular Weight	152.2135
SMILES	CC(C=CC1SC=CC=1)=O
Synonyms	874-83-9, 4-(2-THIENYL)BUT-3-EN-2-ONE, 4-(2-Thienyl)-3-buten-2-one, (3E)-4-(Thiophen-2-yl)but-3-en-2-one, 33603-63-3, MFCD00053051, (E)-4-thiophen-2-ylbut-3-en-2-one, (E)-4-(thiophen-2-yl)but-3-en-2-one, (3E)-4-(2-thienyl)but-3-en-2-one, 3-Buten-2-one,4-(2-thienyl)-, 3-Buten-2-one,4-(2-thienyl)-, (3E)-, AC1LEH0I, SCHEMBL369705, CHEMBL419920, 4-(2-Thienyl)-3-buten-2-one (mixt. of cis and trans), 4-(2-Thienyl)-3-buten-2-on, CIMALVIHZVKKPE-SNAWJCMRSA-N, ZINC154635, 1-(Thien-2-yl)but-1-en-3-one, 99768-07-7, 2-(2-Thienyl)ethenyl methyl ketone, 4-(thiophen-2-yl)but-3-en-2-one, GEO-02302, SBB056771, AKOS005256957, RP21639, (E)-4-(2-Thienyl)-3-butene-2-one, (E)-4-thiophen-2-yl-3-buten-2-one, 4-(2-Thienyl)-3-buten-2-one, 97%, ZB005838, TC-127573, TR-027506, ST50307742, Z2375, C-1093, A842240, J-513347, J-640127, J-800131, I14-50159, I14-107043, Urazole, C8H8OS, trans-4-(2-Thienyl)-3-buten-2-one, 4-thiophen-2-ylbut-3-en-2-one, CID735949, trans-4-(2-Thienyl)-3-buten-2-one, 97% - 25G 25g,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	152.03g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	152.211g/mol
Monoisotopic Mass	152.03g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	45.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3335

Certificate of Analysis

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