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Home > Indoles and Oxindole > 85654-52-0
85654-52-0 | 5-ETHENYL-2-METHYL-1H-INDOLE
CAS No: 85654-52-0 Catalog No: AG01DSWT MDL No:MFCD24563364
Product Description
Catalog Number:
AG01DSWT
Chemical Name:
5-ETHENYL-2-METHYL-1H-INDOLE
CAS Number:
85654-52-0
Molecular Formula:
C11H11N
Molecular Weight:
157.2117
MDL Number:
MFCD24563364
IUPAC Name:
5-ethenyl-2-methyl-1H-indole
InChI:
InChI=1S/C11H11N/c1-3-9-4-5-11-10(7-9)6-8(2)12-11/h3-7,12H,1H2,2H3
InChI Key:
HHMGMUXNJRRYMA-UHFFFAOYSA-N
SMILES:
C=Cc1ccc2c(c1)cc([nH]2)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.216g/mol
Monoisotopic Mass:
157.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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