AG00DENG

4653-08-1 | 4-Oxo-4-(2-thienyl)butyric acid

AG00DENG

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CAS Number	4653-08-1
Catalog Number	AG00DENG(AGN-PC-0RUG48)
Chemical Name	4-Oxo-4-(2-thienyl)butyric acid
EC Number	225-089-5
IUPAC Name	4-oxo-4-thiophen-2-ylbutanoic acid
InChI	InChI=1S/C8H8O3S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11)
InChI Key	ULJMYWHLMLRYSO-UHFFFAOYSA-N
MDL Number	MFCD00022502
Molecular Formula	C8H8O3S
Molecular Weight	184.2123
SMILES	O=C(O)CCC(C1=CC=CS1)=O
Synonyms	3-(2-Thenoyl)propionic acid, 4653-08-1, 4-oxo-4-(thiophen-2-yl)butanoic acid, 4-oxo-4-(2-thienyl)butanoic acid, 4-Oxo-4-(2-thienyl)butyric acid, 3-(2-thenoyl)propanoic acid, 4-(thien-2-yl)-4-oxobutyric acid, 4-oxo-4-(thien-2-yl)butyric acid, 4-(thien-2-yl)-4-oxobutanoic acid, 4-oxo-4-(thien-2-yl)butanoic acid, 4-Oxo-4-thiophen-2-yl-butyric acid, 4-(2-thiophenyl)-4-oxobutanoic acid, 4-oxo-4-(2-thiophenyl)butanoic acid, CHEBI:64434, 4-oxo-4-thien-2-ylbutanoic acid, ULJMYWHLMLRYSO-UHFFFAOYSA-N, 4-(2-thienyl)-4-oxo-butyric acid, MFCD00022502, NSC9624, ACMC-20a7jj, Enamine_004421, Epitope ID:167705, 3-(2-Thenoyl)propionicAcid, SCHEMBL759462, 3-(2-thienoyl)propionic acid, 3-(2-thenoyl)-propionic acid, AC1L2V49, AC1Q5G72, AC1Q754Z, 3-(alpha-thenoyl)propionic acid, 2-Thiophenebutanoicacid, g-oxo-, CTK4I9434, KS-00000CHI, DTXSID10196867, gamma-Oxo-2-thiophenebutyric acid, HMS1406I21, ZINC133392, 4-(2-thienyl)-4-oxobutyric acid, 3-(.alpha.-Thenoyl)propionic acid, 4-oxo-4 (2-thienyl)butanoic acid, AC1Q7550, ACN-S003105, NSC-9624, NSC31635, STR05226, 4-oxo-4-(2-thienyl)-butyric acid, EINECS 225-089-5, 4-(2-thienyl)-4-keto-butyric acid, 4-oxo-4-thiophen-2-ylbutanoic acid, ANW-60701, BBL027878, NSC-31635, SBB006959, STK526633, AKOS000114545, AC-7356, AN-9103, MCULE-2553050182, RP03356, TRA0081570, VZ25952, 2-Thiophenebutanoic acid, .gamma.-oxo-, NCGC00341556-01, AJ-12186, BAS 00763504, SY005887, TS-00222, 4-Oxo-4-(2-thienyl)butyric acid, 97%, DB-015536, ST2405923, TC-149446, BB 0218447, FT-0635379, ST50337978, Y9163, AZ0001-0148, EN300-00085, Z-3953, AB01332565-02, MFCD00022502 (97+%), AA-516/30040028, SR-01000399692, J-515909, J-640133, J-800137, SR-01000399692-1, Z56857914, Triethoxy(propyl)silane, pyrrolidinecarbonyl chloride, C8H8O3S, 4-OXO-4- BUTYRICACID, CID78385, AR-1G4239, (R)-(Thien-2-ylcarbonyl)propionic acid, 4-Oxo-4-(2-thienyl)butyric acid, 97% - 1G 1g, 1096304-38-9, 4906-09-6,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.019g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	184.209g/mol
Monoisotopic Mass	184.019g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	82.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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