AG0035OB

89489-53-2 | Tetrahydro-2H-thiopyran-4-carboxylic acid

AG0035OB

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CAS Number	89489-53-2
Catalog Number	AG0035OB(AGN-PC-03DOZ7)
Chemical Name	Tetrahydro-2H-thiopyran-4-carboxylic acid
IUPAC Name	thiane-4-carboxylic acid
InChI	InChI=1S/C6H10O2S/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H,7,8)
InChI Key	SCKSQOIXSGPVJS-UHFFFAOYSA-N
MDL Number	MFCD09879921
Molecular Formula	C6H10O2S
Molecular Weight	146.2074
SMILES	S1CCC(CC1)C(=O)O
Synonyms	89489-53-2, Tetrahydro-2H-thiopyran-4-carboxylic acid, thiane-4-carboxylic acid, Tetrahydrothiopyran-4-carboxylic acid, 2H-Thiopyran-4-carboxylicacid, tetrahydro-, 2H-Thiopyran-4-carboxylicacid,tetrahydro-(9CI), 2H-THIOPYRAN-4-CARBOXYLIC ACID, TETRAHYDRO-, ACMC-209vjr, SCHEMBL1024061, CTK3E6907, DTXSID60616242, SCKSQOIXSGPVJS-UHFFFAOYSA-N, ANW-45157, MFCD09879921, SBB053436, ZINC12370680, AKOS010828489, tetrahydro-thiopyran-4-carboxylic acid, MCULE-5031108601, PB25232, RP01494, TRA0073515, KS-0000042O, AJ-61852, AM804512, SC-96128, SY019842, TS-01908, DB-078428, ST2419994, TC-133902, CS-0045869, FT-0688248, W9239, EN300-75808, C-2087, MFCD09879921 (97+%), tetrahydrothiopyran-4-carboxylic acid, AldrichCPR, J-524867, I04-10576, Z1259335752, C6H10O2S, 2H-Thiopyran-4-carboxylic acid, tetrahydro- (9CI),

Complexity	108
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.04g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	146.204g/mol
Monoisotopic Mass	146.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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