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28977-59-5 | 4,7,9-Decatrienal, 4,8-dimethyl-, (E,E)- (8CI,9CI)
CAS No: 28977-59-5 Catalog No: AG002V2U MDL No:
Product Description
Catalog Number:
AG002V2U
Chemical Name:
4,7,9-Decatrienal, 4,8-dimethyl-, (E,E)- (8CI,9CI)
CAS Number:
28977-59-5
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
4,8-dimethyldeca-4,7,9-trienal
InChI:
InChI=1S/C12H18O/c1-4-11(2)7-5-8-12(3)9-6-10-13/h4,7-8,10H,1,5-6,9H2,2-3H3
InChI Key:
QCGGYDFYWBBHIF-UHFFFAOYSA-N
SMILES:
O=CCC/C(=C/C/C=C(/C=C)\C)/C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.6
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