AG01EIOS

Name: methyl 2,3,6-trimethylbenzoate
Brand: Angene Chemical
SKU: AG01EIOS

79312-88-2 | methyl 2,3,6-trimethylbenzoate

AG01EIOS

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CAS Number	79312-88-2
Catalog Number	AG01EIOS(AGN-PC-0OI83G)
Chemical Name	methyl 2,3,6-trimethylbenzoate
IUPAC Name	methyl 2,3,6-trimethylbenzoate
InChI	InChI=1S/C11H14O2/c1-7-5-6-8(2)10(9(7)3)11(12)13-4/h5-6H,1-4H3
InChI Key	FXODXUSRCBKOQG-UHFFFAOYSA-N
MDL Number	MFCD31615957
Molecular Formula	C11H14O2
Molecular Weight	178.2277
SMILES	COC(C1=C(C)C(C)=CC=C1C)=O
Synonyms	methyl 2,3,6-trimethylbenzoate, 79312-88-2,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.099g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.231g/mol
Monoisotopic Mass	178.099g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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