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1501-06-0 | Pentanedioic acid, 2-acetyl-, 1,5-diethyl ester
CAS No: 1501-06-0 Catalog No: AG001MC6 MDL No:MFCD00009158
Product Description
Catalog Number:
AG001MC6
Chemical Name:
Pentanedioic acid, 2-acetyl-, 1,5-diethyl ester
CAS Number:
1501-06-0
Molecular Formula:
C11H18O5
Molecular Weight:
230.2576
MDL Number:
MFCD00009158
IUPAC Name:
diethyl 2-acetylpentanedioate
InChI:
InChI=1S/C11H18O5/c1-4-15-10(13)7-6-9(8(3)12)11(14)16-5-2/h9H,4-7H2,1-3H3
InChI Key:
NNOGMCQLKMLNPL-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(C(=O)OCC)C(=O)C
EC Number:
216-114-0
NSC Number:
42535
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.26g/mol
Monoisotopic Mass:
230.115g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Access to new 2-oxofuro[2,3-b]pyrroles and 2-methylenepyrroles through the reaction of 1,2-diaza-1,3-butadienes and gamma-ketoesters. | The Journal of organic chemistry 20040416 |
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