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3074-78-0 | 1-Heptene, 2,6-dimethyl-
CAS No: 3074-78-0 Catalog No: AG00314O MDL No:MFCD00048377
Product Description
Catalog Number:
AG00314O
Chemical Name:
1-Heptene, 2,6-dimethyl-
CAS Number:
3074-78-0
Molecular Formula:
C9H18
Molecular Weight:
126.2392
MDL Number:
MFCD00048377
IUPAC Name:
2,6-dimethylhept-1-ene
InChI:
InChI=1S/C9H18/c1-8(2)6-5-7-9(3)4/h9H,1,5-7H2,2-4H3
InChI Key:
JUUMAEXLYIMEOD-UHFFFAOYSA-N
SMILES:
CC(CCCC(=C)C)C
Properties
Complexity:
80
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.141g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.243g/mol
Monoisotopic Mass:
126.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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