AG01A48M

Name: 2-[(tert-butoxy)methyl]benzoic acid
Brand: Angene Chemical
SKU: AG01A48M

857005-12-0 | 2-[(tert-butoxy)methyl]benzoic acid

AG01A48M

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CAS Number	857005-12-0
Catalog Number	AG01A48M
Chemical Name	2-[(tert-butoxy)methyl]benzoic acid
IUPAC Name	2-[(2-methylpropan-2-yl)oxymethyl]benzoic acid
InChI	InChI=1S/C12H16O3/c1-12(2,3)15-8-9-6-4-5-7-10(9)11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
InChI Key	MBPJCQJAOBCJFO-UHFFFAOYSA-N
MDL Number	MFCD12177359
Molecular Formula	C12H16O3
Molecular Weight	208.2536
SMILES	CC(OCC1=C(C(O)=O)C=CC=C1)(C)C
Synonyms	2-[(tert-butoxy)methyl]benzoic acid, 857005-12-0, ZINC35415260, AKOS009529830, NE32548,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.11g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.257g/mol
Monoisotopic Mass	208.11g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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