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116303-21-0 | 2,4,6-Octatrienal, 3-methyl-7-(2-naphthalenyl)-, (E,E,Z)- (9CI)
CAS No: 116303-21-0 Catalog No: AG000C5B MDL No:
Product Description
Catalog Number:
AG000C5B
Chemical Name:
2,4,6-Octatrienal, 3-methyl-7-(2-naphthalenyl)-, (E,E,Z)- (9CI)
CAS Number:
116303-21-0
Molecular Formula:
C19H18O
Molecular Weight:
262.3456
IUPAC Name:
3-methyl-7-naphthalen-2-ylocta-2,4,6-trienal
InChI:
InChI=1S/C19H18O/c1-15(12-13-20)6-5-7-16(2)18-11-10-17-8-3-4-9-19(17)14-18/h3-14H,1-2H3
InChI Key:
GBASODXOAFMONY-UHFFFAOYSA-N
SMILES:
O=C/C=C(/C=C/C=C(\c1ccc2c(c1)cccc2)/C)\C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.352g/mol
Monoisotopic Mass:
262.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
5.6
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