AG00DVIE

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CAS Number	507471-78-5
Catalog Number	AG00DVIE(AGN-PC-014UL7)
Chemical Name	1,3-Dioxane-5-carboxylicacid,5-methyl-2-oxo-(9CI)
IUPAC Name	5-methyl-2-oxo-1,3-dioxane-5-carboxylic acid
InChI	InChI=1S/C6H8O5/c1-6(4(7)8)2-10-5(9)11-3-6/h2-3H2,1H3,(H,7,8)
InChI Key	VVVXQWXJTSMUBY-UHFFFAOYSA-N
MDL Number	MFCD18805726
Molecular Formula	C6H8O5
Molecular Weight	160.1247
SMILES	CC1(COC(OC1)=O)C(=O)O
Synonyms	5-methyl-2-oxo-1,3-dioxane-5-carboxylic acid, 507471-78-5, 1,3-Dioxane-5-carboxylic acid, 5-methyl-2-oxo- (9CI), SCHEMBL846974, ZINC39066893, AKOS026727033, MCULE-9190689926, NE16364, 2-Oxo-5-methyl-1,3-dioxane-5-carboxylic acid, 1,3-Dioxane-5-carboxylicacid,5-methyl-2-oxo-(9CI), Z1569709224,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.037g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	160.125g/mol
Monoisotopic Mass	160.037g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

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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