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73796-06-2 | 2-Butanone, 4-(1H-indol-4-yl)-
CAS No: 73796-06-2 Catalog No: AG005X3D MDL No:
Product Description
Catalog Number:
AG005X3D
Chemical Name:
2-Butanone, 4-(1H-indol-4-yl)-
CAS Number:
73796-06-2
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
4-(1H-indol-4-yl)butan-2-one
InChI:
InChI=1S/C12H13NO/c1-9(14)5-6-10-3-2-4-12-11(10)7-8-13-12/h2-4,7-8,13H,5-6H2,1H3
InChI Key:
ZOPBPIZFFLJOAR-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1cccc2c1cc[nH]2
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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