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113997-55-0

113997-55-0 | 2-Propanone, 1-[4-(phenylmethoxy)-1H-indol-3-yl]-

CAS No: 113997-55-0 Catalog No: AG000A9A MDL No:

Product Description

Catalog Number:
AG000A9A
Chemical Name:
2-Propanone, 1-[4-(phenylmethoxy)-1H-indol-3-yl]-
CAS Number:
113997-55-0
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
IUPAC Name:
1-(4-phenylmethoxy-1H-indol-3-yl)propan-2-one
InChI:
InChI=1S/C18H17NO2/c1-13(20)10-15-11-19-16-8-5-9-17(18(15)16)21-12-14-6-3-2-4-7-14/h2-9,11,19H,10,12H2,1H3
InChI Key:
BMFUYDUSMLVBHB-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1c[nH]c2c1c(ccc2)OCc1ccccc1

Properties

Complexity:
351  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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