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Home > Indoles and Oxindole > 16977-32-5
16977-32-5 | 6H-Azepino[1,2-a]indole
CAS No: 16977-32-5 Catalog No: AG007AFC MDL No:
Product Description
Catalog Number:
AG007AFC
Chemical Name:
6H-Azepino[1,2-a]indole
CAS Number:
16977-32-5
Molecular Formula:
C13H11N
Molecular Weight:
181.2331
IUPAC Name:
6H-azepino[1,2-a]indole
InChI:
InChI=1S/C13H11N/c1-2-7-12-10-11-6-3-4-8-13(11)14(12)9-5-1/h1-8,10H,9H2
InChI Key:
CSHYFNCJQDAAFU-UHFFFAOYSA-N
SMILES:
C1=CCn2c(C=C1)cc1c2cccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.238g/mol
Monoisotopic Mass:
181.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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