| CAS Number | 57710-28-8 |
| Catalog Number | AG00JIFG(AGN-PC-0WOBZE) |
| Chemical Name | 2-(3-methyl-1H-indol-1-yl)acetic acid |
| IUPAC Name | 2-(3-methylindol-1-yl)acetic acid |
| InChI | InChI=1S/C11H11NO2/c1-8-6-12(7-11(13)14)10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H,13,14) |
| InChI Key | POLWRCXHRFTJTO-UHFFFAOYSA-N |
| MDL Number | MFCD11641408 |
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.2105 |
| SMILES | CC1C2=C(C=CC=C2)N(CC(O)=O)C=1 |
| Synonyms | 2-(3-methyl-1H-indol-1-yl)acetic acid,
57710-28-8,
(3-methyl-indol-1-yl)-acetic acid,
Skatolessigsaure,
AC1Q2OF0,
3-methyl-indole-1-acetic acid,
SCHEMBL3307798,
CTK7J4963,
POLWRCXHRFTJTO-UHFFFAOYSA-N,
ZINC37115702,
AKOS009458068,
(3-methyl-1H-indol-1-yl)acetic acid,
NE39865,
EN300-60906,
1H-Indole-1-acetic acid, 3-methyl-,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.214g/mol |
| Monoisotopic Mass | 189.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number