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607405-12-9 | 3aH-Cyclopent[d]isoxazole-3a-methanol,hexahydro-2-methyl-3-propyl-,(3R,3aR,6aR)-(9CI)
CAS No: 607405-12-9 Catalog No: AG00EMW7 MDL No:
Product Description
Catalog Number:
AG00EMW7
Chemical Name:
3aH-Cyclopent[d]isoxazole-3a-methanol,hexahydro-2-methyl-3-propyl-,(3R,3aR,6aR)-(9CI)
CAS Number:
607405-12-9
IUPAC Name:
[(3R,3aR,6aR)-2-methyl-3-propyl-4,5,6,6a-tetrahydro-3H-cyclopenta[d][1,2]oxazol-3a-yl]methanol
InChI:
InChI=1S/C11H21NO2/c1-3-5-9-11(8-13)7-4-6-10(11)14-12(9)2/h9-10,13H,3-8H2,1-2H3/t9-,10-,11+/m1/s1
InChI Key:
KMJCKHLBFWMGAU-MXWKQRLJSA-N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
199.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.294g/mol
Monoisotopic Mass:
199.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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