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85111-06-4

85111-06-4 | 2-METHYL-3-PROPIONYLINDOLE

CAS No: 85111-06-4 Catalog No: AG00GR3O MDL No:

Product Description

Catalog Number:
AG00GR3O
Chemical Name:
2-METHYL-3-PROPIONYLINDOLE
CAS Number:
85111-06-4
IUPAC Name:
1-(2-methyl-1H-indol-3-yl)propan-1-one
InChI:
InChI=1S/C12H13NO/c1-3-11(14)12-8(2)13-10-7-5-4-6-9(10)12/h4-7,13H,3H2,1-2H3
InChI Key:
WLQTXDOOTSNIRO-UHFFFAOYSA-N

Properties

Complexity:
226  
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:
2  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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