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73548-72-8 | 2-Heptene, 6-methyl-
CAS No: 73548-72-8 Catalog No: AG005D3I MDL No:
Product Description
Catalog Number:
AG005D3I
Chemical Name:
2-Heptene, 6-methyl-
CAS Number:
73548-72-8
Molecular Formula:
C8H16
Molecular Weight:
112.2126
IUPAC Name:
(E)-6-methylhept-2-ene
InChI:
InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h4-5,8H,6-7H2,1-3H3/b5-4+
InChI Key:
LXBJRNXXTAWCKU-SNAWJCMRSA-N
SMILES:
CC=CCCC(C)C
Properties
Complexity:
60.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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