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16502-01-5

16502-01-5 | 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-

CAS No: 16502-01-5 Catalog No: AG001V86 MDL No:MFCD00004954

Product Description

Catalog Number:
AG001V86
Chemical Name:
1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-
CAS Number:
16502-01-5
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
MDL Number:
MFCD00004954
IUPAC Name:
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
InChI:
InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2
InChI Key:
CFTOTSJVQRFXOF-UHFFFAOYSA-N
SMILES:
N1CCc2c(C1)[nH]c1c2cccc1
UNII:
65027TMI0H

Properties

Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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