AG002KZL

21080-92-2 | Propanedioic acid, 2-(3-thienyl)-

AG002KZL

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CAS Number	21080-92-2
Catalog Number	AG002KZL(AGN-PC-0JLXNG)
Chemical Name	Propanedioic acid, 2-(3-thienyl)-
EC Number	244-198-9
IUPAC Name	2-thiophen-3-ylpropanedioic acid
InChI	InChI=1S/C7H6O4S/c8-6(9)5(7(10)11)4-1-2-12-3-4/h1-3,5H,(H,8,9)(H,10,11)
InChI Key	GCOOGCQWQFRJEK-UHFFFAOYSA-N
MDL Number	MFCD00005469
Molecular Formula	C7H6O4S
Molecular Weight	186.1851
SMILES	O=C(O)C(C1=CSC=C1)C(O)=O
Synonyms	3-Thiophenemalonic acid, 21080-92-2, 3-Thienylmalonic acid, 2-(thiophen-3-yl)malonic acid, Propanedioic acid, 3-thienyl-, 3-Thiophene malonic acid, 3-Thienylpropanedioic acid, (3-Thienyl)malonic acid, 2-thiophen-3-ylpropanedioic acid, Thiophene-3-malonic acid, Propanedioic acid, 2-(3-thienyl)-, 2-(3-Thienyl)malonic acid, 2-(3-thienyl)propanedioic acid, CHEMBL3360550, GCOOGCQWQFRJEK-UHFFFAOYSA-N, 2-(thiophen-3-yl)propanedioic acid, W-107575, 3-thiophenemalonic, PubChem5577, ACMC-1CB2M, AC1L3GH6, AC1Q5RO6, AC1Q71NH, KSC497E2H, BIDD:GT0437, SCHEMBL162736, (Thien-3-yl)propanedioic acid, 2-(3-Thienyl)malonic acid #, 3-Thiophenemalonic acid, 97%, DTXSID9066675, CTK3J7223, GCOOGCQWQFRJEK-UHFFFAOYSA-, ZINC154883, ACN-S004320, ACT02272, BCP11989, ZX-AT014457, EINECS 244-198-9, ANW-24333, BDBM50038338, CT-195, MFCD00005469, SBB056949, AKOS015856697, AC-4339, FCH1115251, LS20890, MCULE-4607225458, OR13684, RTR-036136, TRA0076345, AJ-13400, AK-88475, AN-12083, AS-11843, BC209243, SY015822, AB0010847, AB1004816, AX8004714, ST2416267, TL8001752, TR-036136, FT-0616410, ST50308440, MFCD00005469 (97+%), 080T922, C-07479, SR-01000944735, I09-0294, SR-01000944735-1, InChI=1/C7H6O4S/c8-6(9)5(7(10)11)4-1-2-12-3-4/h1-3,5H,(H,8,9)(H,10,11), Not Available, 3-Thiophenemalonicacid, 3-Thiophenemalonic?acid, Thiophen-3-malonic acid, Ticarcillin EP Impurity C, C7H6O4S, 3-Thiophenemalonic acid, 97% 5g, CID88782, AR-1F5280, ACN-032862, 3-Thiophenemalonic acid, 98% - 25G 25g, T1354, |A-Carboxythiophene-3-acetic acid; (3-Thienyl)malonic acid, 21616-46-6,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.999g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	186.181g/mol
Monoisotopic Mass	185.999g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number