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87277-02-9 | 2,4,6,8-Dodecatetraenal, 3,7,10-trimethyl-, (Z,E,E,E)-
CAS No: 87277-02-9 Catalog No: AG004LSY MDL No:
Product Description
Catalog Number:
AG004LSY
Chemical Name:
2,4,6,8-Dodecatetraenal, 3,7,10-trimethyl-, (Z,E,E,E)-
CAS Number:
87277-02-9
Molecular Formula:
C15H22O
Molecular Weight:
218.3346
IUPAC Name:
3,7,10-trimethyldodeca-2,4,6,8-tetraenal
InChI:
InChI=1S/C15H22O/c1-5-13(2)9-10-14(3)7-6-8-15(4)11-12-16/h6-13H,5H2,1-4H3
InChI Key:
OEPQQYMYDSJBCZ-UHFFFAOYSA-N
SMILES:
O=C/C=C(\C=C\C=C(\C=C\C(CC)C)/C)/C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.167g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.34g/mol
Monoisotopic Mass:
218.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
4
XLogP3:
5
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