AG002LQL

22971-62-6 | 2-Thiophenepentanoic acid, δ-oxo-

AG002LQL

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CAS Number	22971-62-6
Catalog Number	AG002LQL(AGN-PC-0JNSN1)
Chemical Name	2-Thiophenepentanoic acid, δ-oxo-
IUPAC Name	5-oxo-5-thiophen-2-ylpentanoic acid
InChI	InChI=1S/C9H10O3S/c10-7(3-1-5-9(11)12)8-4-2-6-13-8/h2,4,6H,1,3,5H2,(H,11,12)
InChI Key	GSQMRVFOHNXKOR-UHFFFAOYSA-N
MDL Number	MFCD00151848
Molecular Formula	C9H10O3S
Molecular Weight	198.2389
NSC Number	80412
SMILES	O=C(O)CCCC(C1=CC=CS1)=O
Synonyms	22971-62-6, 5-Oxo-5-(thiophen-2-yl)pentanoic acid, 5-Oxo-5-(2-thienyl)valeric acid, 4-(2-thienoyl)butyric acid, 5-oxo-5-(2-thienyl)pentanoic acid, 5-oxo-5-thien-2-ylpentanoic acid, 5-oxo-5-thiophen-2-ylpentanoic acid, 2-Thiophenepentanoicacid, d-oxo-, GSQMRVFOHNXKOR-UHFFFAOYSA-N, MFCD00151848, EN300-29448, NSC80412, AC1L5RSQ, ACMC-1CJ8S, AC1Q75BZ, 4-(2-thenoyl)butyric acid, 5-(2-Thienoyl)butyric acid, AC1Q5G74, SCHEMBL5179130, CTK4F0602, DTXSID50292130, ZINC1596552, 4115c, NSC-80412, 5-(thien-2-yl)-5-oxopentanoic acid, 2-Thiophenepentanoic acid, delta-oxo-, AKOS008101429, MCULE-4650109824, VZ27698, ACM22971626, NCGC00333494-01, AJ-27858, CC-16338, AX8006709, DB-046038, TC-168242, FT-0616563, ST50408170, Z2998, A24242, AB01329103-02, C-09225, I14-92254, C9H10O3S, 2,5-Difluorobenzenesulfonyl chloride, AR-1G9296, CID255155, 5-Oxo-5-(thiophen-2-yl)pentanoicacid, 2,5-Difluorobenzene-1-Sulfonyl Chloride, 5-Oxo-5-(2-thienyl)valeric acid, 97% - 1G 1g, 26120-86-5,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.035g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	198.236g/mol
Monoisotopic Mass	198.035g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	82.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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