AG00CLDQ

Name: methyl 3-oxothiane-2-carboxylate
Brand: Angene Chemical
SKU: AG00CLDQ

38555-41-8 | methyl 3-oxothiane-2-carboxylate

AG00CLDQ

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CAS Number	38555-41-8
Catalog Number	AG00CLDQ(AGN-PC-01V8OD)
Chemical Name	methyl 3-oxothiane-2-carboxylate
IUPAC Name	methyl 3-oxothiane-2-carboxylate
InChI	InChI=1S/C7H10O3S/c1-10-7(9)6-5(8)3-2-4-11-6/h6H,2-4H2,1H3
InChI Key	CEDARSWTTYNIHA-UHFFFAOYSA-N
MDL Number	MFCD19688559
Molecular Formula	C7H10O3S
Molecular Weight	174.2175
SMILES	COC(C1C(=O)CCCS1)=O
Synonyms	38555-41-8, methyl 3-oxotetrahydro-2H-thiopyran-2-carboxylate, METHYL TETRAHYDRO-3-OXO-6H-THIOPYRAN-2-CARBOXYLATE, SCHEMBL621079, 3-Oxo-tetrahydro-thiopyran-2-carboxylic acid Methyl ester, CEDARSWTTYNIHA-UHFFFAOYSA-N, WT1109, AKOS015900865, FCH1192718, ACM38555418, DB-069701, FT-0740442, Methyl 3-oxotetrahydrothiopyran-2-carboxylate, I14-16231, methyl-3-oxo2,3,4,5-tetrahydro-6H-thiopyran-2-carboxylate, methyl 3-oxo-2,3,4,5-tetrahydro-6H-thiopyran-2-carboxylate, methyl-3-oxo-2,3,4,5-tetrahydro-6H-thiopyran-2-carboxylate, 38555-41-8 3-Oxo-tetrahydro-thiopyran-2-carboxylic acid methyl ester,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.035g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	174.214g/mol
Monoisotopic Mass	174.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	68.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited