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76917-23-2 | 2,6-Octadienal,(2E,6Z)-
CAS No: 76917-23-2 Catalog No: AG005G4B MDL No:
Product Description
Catalog Number:
AG005G4B
Chemical Name:
2,6-Octadienal,(2E,6Z)-
CAS Number:
76917-23-2
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
octa-2,6-dienal
InChI:
InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h2-3,6-8H,4-5H2,1H3
InChI Key:
CBXNRMOWVZUZQA-UHFFFAOYSA-N
SMILES:
C/C=C\CC/C=C/C=O
EC Number:
278-574-9
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.8
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