AG00DF5G

Name: sym.-Dimethylcitrat
Brand: Angene Chemical
SKU: AG00DF5G

53798-96-2 | sym.-Dimethylcitrat

AG00DF5G

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COA

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CAS Number	53798-96-2
Catalog Number	AG00DF5G(AGN-PC-0BS9Q4)
Chemical Name	sym.-Dimethylcitrat
IUPAC Name	2-hydroxy-4-methoxy-2-(2-methoxy-2-oxoethyl)-4-oxobutanoate
InChI	InChI=1S/C8H12O7/c1-14-5(9)3-8(13,7(11)12)4-6(10)15-2/h13H,3-4H2,1-2H3,(H,11,12)/p-1
InChI Key	XLYPVOJLUJUWKA-UHFFFAOYSA-M
Molecular Formula	C8H12O7
Molecular Weight	220.1767
SMILES	COC(=O)CC(CC(=O)OC)(C(=O)O)O
Synonyms	1,5-Dimethyl Citrate, CTK4J8816, 2-Carboxylato-2-hydroxy-1,3-propanedicarboxylic acid dimethyl ester, 53798-96-2, dimethyl citrate, 53798-97-3,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.05g/mol
Formal Charge	-1
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.169g/mol
Monoisotopic Mass	219.05g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

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