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246-06-0 | Cyclohept[b]indole
CAS No: 246-06-0 Catalog No: AG002OQ0 MDL No:
Product Description
Catalog Number:
AG002OQ0
Chemical Name:
Cyclohept[b]indole
CAS Number:
246-06-0
Molecular Formula:
C13H9N
Molecular Weight:
179.2173
IUPAC Name:
cyclohepta[b]indole
InChI:
InChI=1S/C13H9N/c1-2-6-10-11-7-4-5-9-13(11)14-12(10)8-3-1/h1-9H
InChI Key:
BOLFFYUDEVMACE-UHFFFAOYSA-N
SMILES:
c1ccc2c(cc1)c1c(n2)cccc1
NSC Number:
73042
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.073g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.222g/mol
Monoisotopic Mass:
179.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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