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methyl 5-oxo-4-propanoylheptanoate

CAS No.:
1258640-79-7
Catalog Number:
AG019RKM
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
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Product Description
Catalog Number:
AG019RKM
Chemical Name:
methyl 5-oxo-4-propanoylheptanoate
CAS Number:
1258640-79-7
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
MDL Number:
MFCD17977231
IUPAC Name:
methyl 5-oxo-4-propanoylheptanoate
InChI:
InChI=1S/C11H18O4/c1-4-9(12)8(10(13)5-2)6-7-11(14)15-3/h8H,4-7H2,1-3H3
InChI Key:
XMOXOHILIYTVHS-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(C(=O)CC)C(=O)CC
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.121g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.261g/mol
Monoisotopic Mass:
214.121g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties