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15898-67-6

15898-67-6 | 2,7-Nonadienedioic acid, 1,9-diethyl ester, (2E,7E)-

CAS No: 15898-67-6 Catalog No: AG001R2M MDL No:

Product Description

Catalog Number:
AG001R2M
Chemical Name:
2,7-Nonadienedioic acid, 1,9-diethyl ester, (2E,7E)-
CAS Number:
15898-67-6
Molecular Formula:
C13H20O4
Molecular Weight:
240.2955
IUPAC Name:
diethyl nona-2,7-dienedioate
InChI:
InChI=1S/C13H20O4/c1-3-16-12(14)10-8-6-5-7-9-11-13(15)17-4-2/h8-11H,3-7H2,1-2H3
InChI Key:
DGDKCADOPSQFGL-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/CCC/C=C/C(=O)OCC

Properties

Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.136g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.299g/mol
Monoisotopic Mass:
240.136g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  
XLogP3:
2.7  

Literature

Title Journal
Iron-mediated and -catalyzed metalative cyclization of electron-withdrawing-group-substituted alkynes and alkenes with Grignard reagents. Chemistry (Weinheim an der Bergstrasse, Germany) 20111216

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