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Home > Other Heterocycles > 85717-26-6
85717-26-6 | (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl valerate
CAS No: 85717-26-6 Catalog No: AG00GL2Q MDL No:
Product Description
Catalog Number:
AG00GL2Q
Chemical Name:
(1S-endo)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl valerate
CAS Number:
85717-26-6
IUPAC Name:
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] pentanoate
InChI:
InChI=1S/C15H26O2/c1-5-6-7-13(16)17-12-10-11-8-9-15(12,4)14(11,2)3/h11-12H,5-10H2,1-4H3/t11-,12+,15+/m0/s1
InChI Key:
ILUAVCBOWYHFAI-YWPYICTPSA-N
FEMA Number:
2164
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
238.193g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.371g/mol
Monoisotopic Mass:
238.193g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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