AG0032X0

106921-60-2 | 2,2-dimethyl-3-oxopentanal

AG0032X0

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CAS Number	106921-60-2
Catalog Number	AG0032X0(AGN-PC-0NEWDE)
Chemical Name	2,2-dimethyl-3-oxopentanal
IUPAC Name	2,2-dimethyl-3-oxopentanal
InChI	InChI=1S/C7H12O2/c1-4-6(9)7(2,3)5-8/h5H,4H2,1-3H3
InChI Key	PVYBKZHBCCMBPS-UHFFFAOYSA-N
MDL Number	MFCD11846616
Molecular Formula	C7H12O2
Molecular Weight	128.1690
SMILES	CCC(C(C)(C)C=O)=O
Synonyms	2,2-DIMETHYL-3-OXOPENTANAL, 106921-60-2, Pentanal, 2,2-dimethyl-3-oxo-, SCHEMBL2071264, DTXSID40452882, PVYBKZHBCCMBPS-UHFFFAOYSA-N, KS-00000B1O, ZINC75523019, AKOS016013201, FCH1163106, TRA0027544, CJ-21846, SC-30639, AJ-121628, AX8250067, TC-306896, AM20120716, ST24038431, 2,2-dimethyl-3-oxo-pentanal, CID11040720, 18588-61-9,

Complexity	125
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.084g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	128.171g/mol
Monoisotopic Mass	128.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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