Home Other Building Blocks ethyl 4,6-dioxoheptanoate

ethyl 4,6-dioxoheptanoate

CAS No.:
20754-03-4
Catalog Number:
AG01C842
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
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Product Description
Catalog Number:
AG01C842
Chemical Name:
ethyl 4,6-dioxoheptanoate
CAS Number:
20754-03-4
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
MDL Number:
MFCD25960845
IUPAC Name:
ethyl 4,6-dioxoheptanoate
InChI:
InChI=1S/C9H14O4/c1-3-13-9(12)5-4-8(11)6-7(2)10/h3-6H2,1-2H3
InChI Key:
CWICPWJRZJARAL-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)CC(=O)C
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties