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Home > Indoles and Oxindole > 37128-48-6
37128-48-6 | 3-(pyridine-3-carbonyl)-1H-indole
CAS No: 37128-48-6 Catalog No: AG01A9AG MDL No:MFCD11211133
Product Description
Catalog Number:
AG01A9AG
Chemical Name:
3-(pyridine-3-carbonyl)-1H-indole
CAS Number:
37128-48-6
Molecular Formula:
C14H10N2O
Molecular Weight:
222.2420
MDL Number:
MFCD11211133
IUPAC Name:
1H-indol-3-yl(pyridin-3-yl)methanone
InChI:
InChI=1S/C14H10N2O/c17-14(10-4-3-7-15-8-10)12-9-16-13-6-2-1-5-11(12)13/h1-9,16H
InChI Key:
YRXSFCQXFHXFGU-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c2c1cccc2)c1cccnc1
NSC Number:
143229
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.247g/mol
Monoisotopic Mass:
222.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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