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86732-30-1 | "2-cyclohexyl-octahydropyrrolo[3,4-c]pyrrole"
CAS No: 86732-30-1 Catalog No: AG01FMSP MDL No:MFCD20547694
Product Description
Catalog Number:
AG01FMSP
Chemical Name:
"2-cyclohexyl-octahydropyrrolo[3,4-c]pyrrole"
CAS Number:
86732-30-1
Molecular Formula:
C12H22N2
Molecular Weight:
194.3165
MDL Number:
MFCD20547694
IUPAC Name:
5-cyclohexyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
InChI:
InChI=1S/C12H22N2/c1-2-4-12(5-3-1)14-8-10-6-13-7-11(10)9-14/h10-13H,1-9H2
InChI Key:
YEPWBBADTLMVMH-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)N1CC2C(C1)CNC2
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.178g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.322g/mol
Monoisotopic Mass:
194.178g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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