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1468-87-7 | Cyclopenta[c]pyrrole, octahydro-, (3aR,6aS)-rel-
CAS No: 1468-87-7 Catalog No: AG001ECK MDL No:MFCD09953171
Product Description
Catalog Number:
AG001ECK
Chemical Name:
Cyclopenta[c]pyrrole, octahydro-, (3aR,6aS)-rel-
CAS Number:
1468-87-7
Molecular Formula:
C7H13N
Molecular Weight:
111.1848
MDL Number:
MFCD09953171
IUPAC Name:
(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
InChI:
InChI=1S/C7H13N/c1-2-6-4-8-5-7(6)3-1/h6-8H,1-5H2/t6-,7+
InChI Key:
UZHVXJZEHGSWQV-KNVOCYPGSA-N
SMILES:
C1C[C@@H]2[C@H](C1)CNC2
Properties
Complexity:
80.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
111.105g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.188g/mol
Monoisotopic Mass:
111.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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