Home Other Building Blocks 5-Cyano-2-methylindole-3-acetic acid

5-Cyano-2-methylindole-3-acetic acid

CAS No.:
13218-36-5
Catalog Number:
AG0010CP
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
1 week
United States
$232
- +
250mg
97%
1 week
United States
$428
- +
Product Description
Catalog Number:
AG0010CP
Chemical Name:
5-Cyano-2-methylindole-3-acetic acid
CAS Number:
13218-36-5
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
MDL Number:
MFCD08061146
IUPAC Name:
2-(5-cyano-2-methyl-1H-indol-3-yl)acetic acid
InChI:
InChI=1S/C12H10N2O2/c1-7-9(5-12(15)16)10-4-8(6-13)2-3-11(10)14-7/h2-4,14H,5H2,1H3,(H,15,16)
InChI Key:
PCXWGSGFUMSJBP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)c(CC(=O)O)c([nH]2)C
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties