Catalog Number |
ACM75539650 |
CAS |
75539-65-0 |
Structure |
|
IUPAC Name |
(5E,7Z)-dodeca-5,7-dienal |
Synonyms |
5E,7Z-Dodecadienal;(5E,7Z)-dodeca-5,7-dienal;75539-65-0;E5,Z7-dodecadienal;(e,z)-5,7-dodecadienal;SCHEMBL811318;LMFA06000157;ZINC44135119 |
Molecular Weight |
180.29g/mol |
Molecular Formula |
C12H20O |
Canonical SMILES |
CCCCC=CC=CCCCC=O |
InChI |
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-8,12H,2-4,9-11H2,1H3/b6-5-,8-7+ |
InChI Key |
LDQDYNHCLZNOFB-IGTJQSIKSA-N |
Purity |
96% |
Complexity |
157 |
Covalently-Bonded Unit Count |
1 |
Exact Mass |
180.151415257g/mol |
Heavy Atom Count |
13 |
Hydrogen Bond Acceptor Count |
1 |
Monoisotopic Mass |
180.151415257g/mol |
Rotatable Bond Count |
8 |
Topological Polar Surface Area |
17.1Ų |
X Log P3 |
3.5 |