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Home > Pyridines > 154932-68-0
154932-68-0 | 1H-Inden-1-one, 2,3-dihydro-5-methoxy-2-(4-pyridinylmethyl)-
CAS No: 154932-68-0 Catalog No: AG001NHA MDL No:
Product Description
Catalog Number:
AG001NHA
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-5-methoxy-2-(4-pyridinylmethyl)-
CAS Number:
154932-68-0
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
IUPAC Name:
5-methoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one
InChI:
InChI=1S/C16H15NO2/c1-19-14-2-3-15-12(10-14)9-13(16(15)18)8-11-4-6-17-7-5-11/h2-7,10,13H,8-9H2,1H3
InChI Key:
HKUPXKYZDOQZHE-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CC(C2=O)Cc1ccncc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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