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10124-98-8 | 1,4,9-Decatriene
CAS No: 10124-98-8 Catalog No: AG000413 MDL No:
Product Description
Catalog Number:
AG000413
Chemical Name:
1,4,9-Decatriene
CAS Number:
10124-98-8
Molecular Formula:
C10H16
Molecular Weight:
136.2340
IUPAC Name:
(4E)-deca-1,4,9-triene
InChI:
InChI=1S/C10H16/c1-3-5-7-9-10-8-6-4-2/h3-4,7,9H,1-2,5-6,8,10H2/b9-7+
InChI Key:
TVEFFNLPYIEDLS-VQHVLOKHSA-N
SMILES:
C=CCCCC=CCC=C
EC Number:
233-346-8
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
136.125g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.238g/mol
Monoisotopic Mass:
136.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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