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Home > Indoles and Oxindole > 820234-17-1
820234-17-1 | 1H-Indole, 1-(2-methoxybenzoyl)-
CAS No: 820234-17-1 Catalog No: AG0053E9 MDL No:
Product Description
Catalog Number:
AG0053E9
Chemical Name:
1H-Indole, 1-(2-methoxybenzoyl)-
CAS Number:
820234-17-1
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
indol-1-yl-(2-methoxyphenyl)methanone
InChI:
InChI=1S/C16H13NO2/c1-19-15-9-5-3-7-13(15)16(18)17-11-10-12-6-2-4-8-14(12)17/h2-11H,1H3
InChI Key:
RKTYBQWUQTWRIO-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=O)n1ccc2c1cccc2
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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