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

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

CAS No.:
1341891-16-4
Catalog Number:
AG01B9TU
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
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Product Description
Catalog Number:
AG01B9TU
Chemical Name:
3-(1H-indazol-1-yl)-2-methylpropanoic acid
CAS Number:
1341891-16-4
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD16685436
IUPAC Name:
3-indazol-1-yl-2-methylpropanoic acid
InChI:
InChI=1S/C11H12N2O2/c1-8(11(14)15)7-13-10-5-3-2-4-9(10)6-12-13/h2-6,8H,7H2,1H3,(H,14,15)
InChI Key:
YQPIEGXNDOSVOM-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cn1ncc2c1cccc2)C
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties