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247-48-3 | 4H-Thieno[2',3':3,4]cyclopenta[1,2-c]pyridine
CAS No: 247-48-3 Catalog No: AG002P2O MDL No:
Product Description
Catalog Number:
AG002P2O
Chemical Name:
4H-Thieno[2',3':3,4]cyclopenta[1,2-c]pyridine
CAS Number:
247-48-3
Molecular Formula:
C10H7NS
Molecular Weight:
173.2343
IUPAC Name:
3-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene
InChI:
InChI=1S/C10H7NS/c1-3-11-6-8-5-7-2-4-12-10(7)9(1)8/h1-4,6H,5H2
InChI Key:
VDCVWAIRFIWJFF-UHFFFAOYSA-N
SMILES:
c1ncc2c(c1)c1sccc1C2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.233g/mol
Monoisotopic Mass:
173.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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