Home Carboxys 1-(prop-2-en-1-yl)-1H-indole-3-carboxylic acid

1-(prop-2-en-1-yl)-1H-indole-3-carboxylic acid

CAS No.:
1021244-66-5
Catalog Number:
AG019XD8
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
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Product Description
Catalog Number:
AG019XD8
Chemical Name:
1-(prop-2-en-1-yl)-1H-indole-3-carboxylic acid
CAS Number:
1021244-66-5
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD11155405
IUPAC Name:
1-prop-2-enylindole-3-carboxylic acid
InChI:
InChI=1S/C12H11NO2/c1-2-7-13-8-10(12(14)15)9-5-3-4-6-11(9)13/h2-6,8H,1,7H2,(H,14,15)
InChI Key:
NBSNSQJYXCXGLK-UHFFFAOYSA-N
SMILES:
C=CCn1cc(c2c1cccc2)C(=O)O
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties