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13151-04-7 | 1-Heptene, 5-methyl-
CAS No: 13151-04-7 Catalog No: AG000ZBJ MDL No:
Product Description
Catalog Number:
AG000ZBJ
Chemical Name:
1-Heptene, 5-methyl-
CAS Number:
13151-04-7
Molecular Formula:
C8H16
Molecular Weight:
112.2126
IUPAC Name:
5-methylhept-1-ene
InChI:
InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h4,8H,1,5-7H2,2-3H3
InChI Key:
WNEYWVBECXCQRT-UHFFFAOYSA-N
SMILES:
CC(CC)CCC=C
NSC Number:
249818
Properties
Complexity:
55.1
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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