AG003Q8I

7737-62-4 | Ethyl 3-oxoheptanoate

AG003Q8I

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CAS Number	7737-62-4
Catalog Number	AG003Q8I(AGN-PC-0JSVLA)
Chemical Name	Ethyl 3-oxoheptanoate
IUPAC Name	ethyl 3-oxoheptanoate
InChI	InChI=1S/C9H16O3/c1-3-5-6-8(10)7-9(11)12-4-2/h3-7H2,1-2H3
InChI Key	UKRVECBFDMVBPU-UHFFFAOYSA-N
MDL Number	MFCD00143188
Molecular Formula	C9H16O3
Molecular Weight	172.2215
SMILES	CCCCC(CC(OCC)=O)=O
Synonyms	Ethyl 3-oxoheptanoate, 7737-62-4, 3-Oxoenanthic Acid Ethyl Ester, Ethyl 3-Oxoenanthate, 3-Oxoheptanoic Acid Ethyl Ester, 3-Ketoheptanoic Acid Ethyl Ester, Ethyl propylacetoacetate, Heptanoic acid, 3-oxo-, ethyl ester, UKRVECBFDMVBPU-UHFFFAOYSA-N, Ethyl3-Oxoheptanoate, ethyl 3-ketoheptanoate, Ethyl 3-oxo-heptanoate, AC1LBJI2, ethyl 3-oxo-n-heptanoate, ACMC-209p9i, AC1Q5H6W, SCHEMBL1549737, CTK2G6533, UKRVECBFDMVBPU-UHFFFAOYSA-, 3-oxo-heptanoic acid ethyl ester, DTXSID50339832, KS-000013WT, ZINC2512481, ANW-37012, MFCD00143188, AKOS015855371, RTR-033482, AJ-36669, LS-74408, AX8088755, TR-033482, FT-0694995, O0216, C-56309, Z2737087536, InChI=1/C9H16O3/c1-3-5-6-8(10)7-9(11)12-4-2/h3-7H2,1-2H3, 3-OXOENANTHICACIDETHYLESTER, AR-1I8910, CID559036, 78388-31-5,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.11g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.224g/mol
Monoisotopic Mass	172.11g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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