Home Other Building Blocks 3-(1H-indol-1-yl)-2-methylpropanoic acid

3-(1H-indol-1-yl)-2-methylpropanoic acid

CAS No.:
221687-63-4
Catalog Number:
AG01B9KK
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
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Product Description
Catalog Number:
AG01B9KK
Chemical Name:
3-(1H-indol-1-yl)-2-methylpropanoic acid
CAS Number:
221687-63-4
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD17270655
IUPAC Name:
3-indol-1-yl-2-methylpropanoic acid
InChI:
InChI=1S/C12H13NO2/c1-9(12(14)15)8-13-7-6-10-4-2-3-5-11(10)13/h2-7,9H,8H2,1H3,(H,14,15)
InChI Key:
VZRQCALDRRWTLU-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cn1ccc2c1cccc2)C
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties