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2050-20-6 | Heptanedioic acid, 1,7-diethyl ester
CAS No: 2050-20-6 Catalog No: AG0029RZ MDL No:MFCD00009216
Product Description
Catalog Number:
AG0029RZ
Chemical Name:
Heptanedioic acid, 1,7-diethyl ester
CAS Number:
2050-20-6
Molecular Formula:
C11H20O4
Molecular Weight:
216.2741
MDL Number:
MFCD00009216
IUPAC Name:
diethyl heptanedioate
InChI:
InChI=1S/C11H20O4/c1-3-14-10(12)8-6-5-7-9-11(13)15-4-2/h3-9H2,1-2H3
InChI Key:
LKKOGZVQGQUVHF-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCC(=O)OCC
EC Number:
218-083-9
UNII:
2RF63N709K
NSC Number:
17503
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.277g/mol
Monoisotopic Mass:
216.136g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Short asymmetric synthesis of (-)- and (+)-cis-lauthisan. | Organic letters 20050512 |
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