AG00EC93

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CAS Number	564-04-5
Catalog Number	AG00EC93(AGN-PC-0JMOTC)
Chemical Name	2,2-Dimethylpentan-3-one
IUPAC Name	2,2-dimethylpentan-3-one
InChI	InChI=1S/C7H14O/c1-5-6(8)7(2,3)4/h5H2,1-4H3
InChI Key	VLNUTKMHYLQCQB-UHFFFAOYSA-N
MDL Number	MFCD00039918
Molecular Formula	C7H14O
Molecular Weight	114.1855
NSC Number	244941
SMILES	CC(C)(C)C(CC)=O
Synonyms	2,2-Dimethylpentan-3-one, 2,2-Dimethyl-3-pentanone, 564-04-5, 3-Pentanone, 2,2-dimethyl-, Ethyl tert-butyl ketone, tert-Butyl ethyl ketone, VLNUTKMHYLQCQB-UHFFFAOYSA-N, Tert-butylethylketone, AC1Q2RLQ, 3-Pentanone,2-dimethyl-, 4,4-dimethyl-3-pentanone, AC1L38CE, 2,2-Dimethyl-3-oxopentane, 2,2 dimethyl pentan-3-one, 3-Pentanone,2,2-dimethyl-, SCHEMBL121296, CTK5A5086, KS-00001AJA, DTXSID10204971, ZINC1765579, MFCD00039918, NSC244941, QC-627, AKOS009157353, MCULE-1267009248, NSC-244941, RP00602, AJ-31645, SC-67983, SY036048, AB0041689, FT-0693356, Y9483, EN300-69443, MFCD00039918 (95%), K-9985, A1-00485, J-506830, Z1258948219, C7H14O, c1096, CID136363, ACN-029685,

Complexity	87.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	114.104g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	114.188g/mol
Monoisotopic Mass	114.104g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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