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89506-58-1 | Cyclopenta[b]pyrrole, 1,4,5,6-tetrahydro-1-methyl-2-(2-thienyl)-
CAS No: 89506-58-1 Catalog No: AG0041ET MDL No:
Product Description
Catalog Number:
AG0041ET
Chemical Name:
Cyclopenta[b]pyrrole, 1,4,5,6-tetrahydro-1-methyl-2-(2-thienyl)-
CAS Number:
89506-58-1
Molecular Formula:
C12H13NS
Molecular Weight:
203.3033
IUPAC Name:
1-methyl-2-thiophen-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrole
InChI:
InChI=1S/C12H13NS/c1-13-10-5-2-4-9(10)8-11(13)12-6-3-7-14-12/h3,6-8H,2,4-5H2,1H3
InChI Key:
DCZHBGGVAHSUHQ-UHFFFAOYSA-N
SMILES:
Cn1c2CCCc2cc1c1cccs1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.303g/mol
Monoisotopic Mass:
203.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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