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15918-08-8 | Heptane, 4-methylene-
CAS No: 15918-08-8 Catalog No: AG001QJG MDL No:
Product Description
Catalog Number:
AG001QJG
Chemical Name:
Heptane, 4-methylene-
CAS Number:
15918-08-8
Molecular Formula:
C8H16
Molecular Weight:
112.2126
IUPAC Name:
4-methylideneheptane
InChI:
InChI=1S/C8H16/c1-4-6-8(3)7-5-2/h3-7H2,1-2H3
InChI Key:
FYUUBXZYRPRIHC-UHFFFAOYSA-N
SMILES:
CCCC(=C)CCC
Properties
Complexity:
54.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.125g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.216g/mol
Monoisotopic Mass:
112.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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