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102540-71-6 | Octanoic acid, 2,4-dioxo-, ethyl ester
CAS No: 102540-71-6 Catalog No: AG0007P9 MDL No:
Product Description
Catalog Number:
AG0007P9
Chemical Name:
Octanoic acid, 2,4-dioxo-, ethyl ester
CAS Number:
102540-71-6
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
IUPAC Name:
ethyl 2,4-dioxooctanoate
InChI:
InChI=1S/C10H16O4/c1-3-5-6-8(11)7-9(12)10(13)14-4-2/h3-7H2,1-2H3
InChI Key:
XVWFJKVWKCCZME-UHFFFAOYSA-N
SMILES:
CCCCC(=O)CC(=O)C(=O)OCC
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.234g/mol
Monoisotopic Mass:
200.105g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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