Heptanoic acid, 2,4-dioxo-, ethyl ester


Chemical Name: Heptanoic acid, 2,4-dioxo-, ethyl ester
CAS Number: 36983-31-0
Product Number: AG003Q2G(AGN-PC-0BXADE)
Synonyms:
MDL No: MFCD08700411
Molecular Formula: C9H14O4
Molecular Weight: 186.2051

Identification/Properties


Properties
BP:
228-232℃
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
186.207g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
186.089g/mol
Monoisotopic Mass:
186.089g/mol
Topological Polar Surface Area:
60.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
208
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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