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Home > Indoles and Oxindole > 1228552-84-8
1228552-84-8 | 1-(2,6-Dimethyl-1H-indol-3-yl)ethanone
CAS No: 1228552-84-8 Catalog No: AG00HH29 MDL No:MFCD16618495
Product Description
Catalog Number:
AG00HH29
Chemical Name:
1-(2,6-Dimethyl-1H-indol-3-yl)ethanone
CAS Number:
1228552-84-8
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD16618495
IUPAC Name:
1-(2,6-dimethyl-1H-indol-3-yl)ethanone
InChI:
InChI=1S/C12H13NO/c1-7-4-5-10-11(6-7)13-8(2)12(10)9(3)14/h4-6,13H,1-3H3
InChI Key:
URQFZAQYZPSEPC-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)[nH]c(c2C(=O)C)C
Properties
Complexity:
239
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:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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