| CAS Number | 17897-49-3 |
| Catalog Number | AG00VT01(AGN-PC-005KAK) |
| Chemical Name | 2-(4-Methoxy-1H-Indol-3-Yl)Acetic Acid |
| IUPAC Name | 2-(4-methoxy-1H-indol-3-yl)acetic acid |
| InChI | InChI=1S/C11H11NO3/c1-15-9-4-2-3-8-11(9)7(6-12-8)5-10(13)14/h2-4,6,12H,5H2,1H3,(H,13,14) |
| InChI Key | LASOXKFMZMXTOD-UHFFFAOYSA-N |
| MDL Number | MFCD10035274 |
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.2099 |
| SMILES | COC1=C2C(NC=C2CC(O)=O)=CC=C1 |
| Synonyms | 2-(4-methoxy-1H-indol-3-yl)acetic Acid,
17897-49-3,
4-Methoxyindole-3-acetic Acid,
(4-methoxy-indol-3-yl)-acetic acid,
SCHEMBL6770793,
MFCD10035274,
ZINC20269207,
AKOS017555839,
MCULE-8704760247,
NE27124,
AJ-76740,
NS-02170,
SY058615,
FT-0756122,
MFCD10035274 (95%),
4-methoxy-1H-Indole-3-acetic acid,
CID11264190,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.213g/mol |
| Monoisotopic Mass | 205.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number