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Home > Other Heterocycles > 93839-05-5
93839-05-5 | 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl stearate
CAS No: 93839-05-5 Catalog No: AG00H0KT MDL No:
Product Description
Catalog Number:
AG00H0KT
Chemical Name:
1,3,3-trimethylbicyclo[2.2.1]hept-2-yl stearate
CAS Number:
93839-05-5
IUPAC Name:
(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) octadecanoate
InChI:
InChI=1S/C28H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-26-27(2,3)24-21-22-28(26,4)23-24/h24,26H,5-23H2,1-4H3
InChI Key:
MSCSYRZMJVLHSI-UHFFFAOYSA-N
EC Number:
298-776-0
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.397g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.722g/mol
Monoisotopic Mass:
420.397g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
11.5
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