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89671-81-8 | Ethanone, 1-(5-methyl-1H-indol-2-yl)-
CAS No: 89671-81-8 Catalog No: AG0043HL MDL No:
Product Description
Catalog Number:
AG0043HL
Chemical Name:
Ethanone, 1-(5-methyl-1H-indol-2-yl)-
CAS Number:
89671-81-8
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
IUPAC Name:
1-(5-methyl-1H-indol-2-yl)ethanone
InChI:
InChI=1S/C11H11NO/c1-7-3-4-10-9(5-7)6-11(12-10)8(2)13/h3-6,12H,1-2H3
InChI Key:
NBXQMIOMSVTMCR-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)cc([nH]2)C(=O)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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