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116526-33-1

116526-33-1 | Cyclopent[b]indole, 1,2,3,4-tetrahydro-2-(4-methoxyphenyl)-

CAS No: 116526-33-1 Catalog No: AG000COO MDL No:

Product Description

Catalog Number:
AG000COO
Chemical Name:
Cyclopent[b]indole, 1,2,3,4-tetrahydro-2-(4-methoxyphenyl)-
CAS Number:
116526-33-1
Molecular Formula:
C18H17NO
Molecular Weight:
263.3337
IUPAC Name:
2-(4-methoxyphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole
InChI:
InChI=1S/C18H17NO/c1-20-14-8-6-12(7-9-14)13-10-16-15-4-2-3-5-17(15)19-18(16)11-13/h2-9,13,19H,10-11H2,1H3
InChI Key:
XQDLEVXUPWCFGW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1Cc2c(C1)c1c([nH]2)cccc1

Properties

Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.131g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
263.34g/mol
Monoisotopic Mass:
263.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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