AG00C9VJ

Name: 3,3-Dimethyl-1-phenylbutan-1-one
Brand: Angene Chemical
SKU: AG00C9VJ

31366-07-1 | 3,3-Dimethyl-1-phenylbutan-1-one

AG00C9VJ

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COA

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CAS Number	31366-07-1
Catalog Number	AG00C9VJ(AGN-PC-0NBWOZ)
Chemical Name	3,3-Dimethyl-1-phenylbutan-1-one
IUPAC Name	3,3-dimethyl-1-phenylbutan-1-one
InChI	InChI=1S/C12H16O/c1-12(2,3)9-11(13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChI Key	RAGQNMUFPJIWQE-UHFFFAOYSA-N
MDL Number	MFCD03841073
Molecular Formula	C12H16O
Molecular Weight	176.2548
SMILES	CC(CC(=O)C1=CC=CC=C1)(C)C
Synonyms	3,3-Dimethylbutyrophenone, 31366-07-1, 3,3-dimethyl-1-phenylbutan-1-one, 1-Butanone, 3,3-dimethyl-1-phenyl-, t-butylacetophenon, t-butylacetophenone, Neopentylphenyl ketone, 2-t-butylacetophenone, AC1Q1MGQ, SCHEMBL3242580, CTK1B9819, DTXSID60446364, RAGQNMUFPJIWQE-UHFFFAOYSA-N, 3,3-dimethyl-1-phenyl-1-butanone, ZINC2514131, 9934AD, MFCD03841073, AKOS009339219, MCULE-2756203976, NE28024, EN300-39809, Z1235963358, C12H16O, 3,3-dimethyl-1-phenyl-butan-1-one, CID10866868, 22583-61-5,

Complexity	170
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	3.4

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