AG005P99

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CAS Number	68591-08-2
Catalog Number	AG005P99(AGN-PC-0BT303)
Chemical Name	Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-6-methyl-
IUPAC Name	3-tert-butyl-2-hydroxy-6-methylbenzaldehyde
InChI	InChI=1S/C12H16O2/c1-8-5-6-10(12(2,3)4)11(14)9(8)7-13/h5-7,14H,1-4H3
InChI Key	YAGXJTGFNACZEO-UHFFFAOYSA-N
MDL Number	MFCD21233454
Molecular Formula	C12H16O2
Molecular Weight	192.2542
SMILES	CC(C)(C)C=1C(=C(C=O)C(=CC1)C)O
Synonyms	68591-08-2, 3-tert-Butyl-2-hydroxy-6-methylbenzaldehyde, Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-6-methyl-, 3-(tert-butyl)-2-hydroxy-6-methylbenzaldehyde, SCHEMBL311508, CTK1J1930, DTXSID10726305, ZINC83815131, AKOS014762897, 2-hydroxy-3-tert-butyl-6-methyl-benzaldehyde,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.115g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.258g/mol
Monoisotopic Mass	192.115g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

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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