AG003FBI

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CAS Number	5497-67-6
Catalog Number	AG003FBI(AGN-PC-0JLS52)
Chemical Name	2,2-Dimethyl-4-pentenal
EC Number	226-834-7
IUPAC Name	2,2-dimethylpent-4-enal
InChI	InChI=1S/C7H12O/c1-4-5-7(2,3)6-8/h4,6H,1,5H2,2-3H3
InChI Key	DXSDIWHOOOBQTJ-UHFFFAOYSA-N
MDL Number	MFCD00010699
Molecular Formula	C7H12O
Molecular Weight	112.1696
NSC Number	14676
SMILES	C=CCC(C)(C)C=O
Synonyms	2,2-Dimethyl-4-pentenal, 5497-67-6, 2,2-Dimethylpent-4-enal, 4-Pentenal, 2,2-dimethyl-, 2,2-dimethyl-pent-4-enal, 4-Pentenal,2,2-dimethyl-, DXSDIWHOOOBQTJ-UHFFFAOYSA-N, NSC14676, EINECS 226-834-7, zlchem 644, ACMC-20aojn, PubChem22726, AI3-28334, 2,2-dimethyl4-pentenal, AC1Q6PJF, 4-Pentenal,2-dimethyl-, 2,2-dimethy-4-pentenal, AC1L2XT9, AC1Q1NK5, SCHEMBL272864, 2,2-dimethyl-4-pentenaldehyde, CTK5A2863, DTXSID30203502, ZLD0094, ACT05940, ZINC1653149, GEO-01206, MFCD00010699, NSC-14676, AKOS025295457, CJ-26750, TC-171482, 2,2-Dimethyl-4-pentenal, 97%, stabilized, AM20080935, FT-0600478, 497D676, S14-0752, F2147-6072, 2,2-Dimethyl-4-pentenal, technical grade, 90%, contains 1000 ppm hydroquinone as stabilizer, C7-H12-O, CID79636, AR-1D1557, 56679-25-5,

Complexity	92.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.089g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	112.172g/mol
Monoisotopic Mass	112.089g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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