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100678-60-2 | 2,4,6,8-Decatetraenal, 3,7-dimethyl-, (Z,E,E,E)- (9CI)
CAS No: 100678-60-2 Catalog No: AG0002M1 MDL No:
Product Description
Catalog Number:
AG0002M1
Chemical Name:
2,4,6,8-Decatetraenal, 3,7-dimethyl-, (Z,E,E,E)- (9CI)
CAS Number:
100678-60-2
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
3,7-dimethyldeca-2,4,6,8-tetraenal
InChI:
InChI=1S/C12H16O/c1-4-6-11(2)7-5-8-12(3)9-10-13/h4-10H,1-3H3
InChI Key:
MIMKOTXYWWOEFT-UHFFFAOYSA-N
SMILES:
C/C=C/C(=C/C=C/C(=C\C=O)/C)/C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
3.7
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