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13088-48-7 | Heptanoic acid, 2-oxo-
CAS No: 13088-48-7 Catalog No: AG000V2K MDL No:
Product Description
Catalog Number:
AG000V2K
Chemical Name:
Heptanoic acid, 2-oxo-
CAS Number:
13088-48-7
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
2-oxoheptanoic acid
InChI:
InChI=1S/C7H12O3/c1-2-3-4-5-6(8)7(9)10/h2-5H2,1H3,(H,9,10)
InChI Key:
IDDYNNYMUPHFMO-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)C(=O)O
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| From amino acid to glucosinolate biosynthesis: protein sequence changes in the evolution of methylthioalkylmalate synthase in Arabidopsis. | The Plant cell 20110101 |
| An assessment of the safety of copper heptonate for parenteral therapy in sheep. | Australian veterinary journal 20040101 |
| Comparison of copper heptonate with copper oxide wire particles as copper supplements for sheep on pasture of high molybdenum content. | Australian veterinary journal 20021001 |
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