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88223-23-8 | 9H-Indeno[2,1-b]pyridine, 9-butyl-
CAS No: 88223-23-8 Catalog No: AG004BA0 MDL No:
Product Description
Catalog Number:
AG004BA0
Chemical Name:
9H-Indeno[2,1-b]pyridine, 9-butyl-
CAS Number:
88223-23-8
Molecular Formula:
C16H17N
Molecular Weight:
223.3129
IUPAC Name:
9-butyl-9H-indeno[2,1-b]pyridine
InChI:
InChI=1S/C16H17N/c1-2-3-7-14-12-8-4-5-9-13(12)15-10-6-11-17-16(14)15/h4-6,8-11,14H,2-3,7H2,1H3
InChI Key:
OBKIVQNPQBVXMJ-UHFFFAOYSA-N
SMILES:
CCCCC1c2ncccc2c2c1cccc2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.319g/mol
Monoisotopic Mass:
223.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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