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123-48-8 | 3-Heptene, 2,2,4,6,6-pentamethyl-
CAS No: 123-48-8 Catalog No: AG000JX4 MDL No:MFCD00026330
Product Description
Catalog Number:
AG000JX4
Chemical Name:
3-Heptene, 2,2,4,6,6-pentamethyl-
CAS Number:
123-48-8
Molecular Formula:
C12H24
Molecular Weight:
168.3190
MDL Number:
MFCD00026330
IUPAC Name:
(E)-2,2,4,6,6-pentamethylhept-3-ene
InChI:
InChI=1S/C12H24/c1-10(8-11(2,3)4)9-12(5,6)7/h8H,9H2,1-7H3/b10-8+
InChI Key:
NBUMCEJRJRRLCA-CSKARUKUSA-N
SMILES:
CC(=CC(C)(C)C)CC(C)(C)C
EC Number:
204-631-4
UNII:
02S68B714V
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
168.188g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.324g/mol
Monoisotopic Mass:
168.188g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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