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16197-40-3 | 1-Heptene, 5-methyl-, (5S)-
CAS No: 16197-40-3 Catalog No: AG001SK8 MDL No:
Product Description
Catalog Number:
AG001SK8
Chemical Name:
1-Heptene, 5-methyl-, (5S)-
CAS Number:
16197-40-3
Molecular Formula:
C8H16
Molecular Weight:
112.2126
IUPAC Name:
(5S)-5-methylhept-1-ene
InChI:
InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h4,8H,1,5-7H2,2-3H3/t8-/m0/s1
InChI Key:
WNEYWVBECXCQRT-QMMMGPOBSA-N
SMILES:
C[C@@H](CC)CCC=C
Properties
Complexity:
55.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
3.7
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