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Home > Other Heterocycles > 80336-20-5
80336-20-5 | Bicyclo[2.2.1]hept-2-ene, 5-[(decyloxy)methylene]-
CAS No: 80336-20-5 Catalog No: AG005MK4 MDL No:
Product Description
Catalog Number:
AG005MK4
Chemical Name:
Bicyclo[2.2.1]hept-2-ene, 5-[(decyloxy)methylene]-
CAS Number:
80336-20-5
Molecular Formula:
C18H30O
Molecular Weight:
262.4302
IUPAC Name:
5-(decoxymethylidene)bicyclo[2.2.1]hept-2-ene
InChI:
InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-12-19-15-18-14-16-10-11-17(18)13-16/h10-11,15-17H,2-9,12-14H2,1H3
InChI Key:
OAITXFARMXXGLB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOC=C1CC2CC1C=C2
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.23g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.437g/mol
Monoisotopic Mass:
262.23g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
6.1
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