Home Carboxys 1-(prop-2-yn-1-yl)-1H-indole-2-carboxylic acid

1-(prop-2-yn-1-yl)-1H-indole-2-carboxylic acid

CAS No.:
229953-35-9
Catalog Number:
AG01DW91
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
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Product Description
Catalog Number:
AG01DW91
Chemical Name:
1-(prop-2-yn-1-yl)-1H-indole-2-carboxylic acid
CAS Number:
229953-35-9
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
MDL Number:
MFCD17019451
IUPAC Name:
1-prop-2-ynylindole-2-carboxylic acid
InChI:
InChI=1S/C12H9NO2/c1-2-7-13-10-6-4-3-5-9(10)8-11(13)12(14)15/h1,3-6,8H,7H2,(H,14,15)
InChI Key:
GSMVIBLZIJLKPF-UHFFFAOYSA-N
SMILES:
C#CCn1c(cc2c1cccc2)C(=O)O
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.063g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.209g/mol
Monoisotopic Mass:
199.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties