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13172-91-3 | 3-Heptene, 5-methyl-
CAS No: 13172-91-3 Catalog No: AG000ZN3 MDL No:MFCD00049124
Product Description
Catalog Number:
AG000ZN3
Chemical Name:
3-Heptene, 5-methyl-
CAS Number:
13172-91-3
Molecular Formula:
C8H16
Molecular Weight:
112.2126
MDL Number:
MFCD00049124
IUPAC Name:
5-methylhept-3-ene
InChI:
InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h6-8H,4-5H2,1-3H3
InChI Key:
YMNTZRCUPAYGLG-UHFFFAOYSA-N
SMILES:
CCC=CC(CC)C
Properties
Complexity:
62.4
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:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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