AG01AHB5

Name: 3-Methyl-1-(2-methylphenyl)butan-1-one
Brand: Angene Chemical
SKU: AG01AHB5

58138-81-1 | 3-Methyl-1-(2-methylphenyl)butan-1-one

AG01AHB5

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CAS Number	58138-81-1
Catalog Number	AG01AHB5
Chemical Name	3-Methyl-1-(2-methylphenyl)butan-1-one
IUPAC Name	3-methyl-1-(2-methylphenyl)butan-1-one
InChI	InChI=1S/C12H16O/c1-9(2)8-12(13)11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3
InChI Key	NXHBKNYNOYNTDZ-UHFFFAOYSA-N
MDL Number	MFCD12153362
Molecular Formula	C12H16O
Molecular Weight	176.2548
SMILES	CC(CC(C1=C(C)C=CC=C1)=O)C
Synonyms	3-methyl-1-(2-methylphenyl)butan-1-one, 58138-81-1, 2',3-Dimethylbutyrophenone, SCHEMBL13647199, ZINC36179694, AKOS010013925, MCULE-3738301220, NE42065, EN300-74222, Z1258948127,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.12g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.259g/mol
Monoisotopic Mass	176.12g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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