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1115-08-8 | 3-Methyl-1,4-pentadiene
CAS No: 1115-08-8 Catalog No: AG003JOE MDL No:
Product Description
Catalog Number:
AG003JOE
Chemical Name:
3-Methyl-1,4-pentadiene
CAS Number:
1115-08-8
IUPAC Name:
3-methylpenta-1,4-diene
InChI:
InChI=1S/C6H10/c1-4-6(3)5-2/h4-6H,1-2H2,3H3
InChI Key:
IKQUUYYDRTYXAP-UHFFFAOYSA-N
EC Number:
214-221-7
UNII:
AO4JZ46543
Properties
Complexity:
45.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
82.078g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
82.146g/mol
Monoisotopic Mass:
82.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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