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119678-09-0 | 1,3,5,7,9-Decapentaene, (3Z,5Z,7Z)-
CAS No: 119678-09-0 Catalog No: AG000PGI MDL No:
Product Description
Catalog Number:
AG000PGI
Chemical Name:
1,3,5,7,9-Decapentaene, (3Z,5Z,7Z)-
CAS Number:
119678-09-0
Molecular Formula:
C10H12
Molecular Weight:
132.2023
IUPAC Name:
deca-1,3,5,7,9-pentaene
InChI:
InChI=1S/C10H12/c1-3-5-7-9-10-8-6-4-2/h3-10H,1-2H2
InChI Key:
XKWRJEBRBGIQBA-UHFFFAOYSA-N
SMILES:
C=C/C=C\C=C/C=C\C=C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.094g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.206g/mol
Monoisotopic Mass:
132.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| How can we explain the stability of conjugated hydrocarbon-and heterosubstituted networks by topological descriptors? | Current computer-aided drug design 20101201 |
| Double-twist Möbius aromaticity in a 4n+ 2 electron electrocyclic reaction. | Chemical communications (Cambridge, England) 20051107 |
| Energy and variance optimization of many-body wave functions. | Physical review letters 20050422 |
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