| CAS Number | 885524-81-2 |
| Catalog Number | AG00J8KF(AGN-PC-0WO904) |
| Chemical Name | 2-(5-Methoxy-1H-indol-1-yl)acetic acid |
| IUPAC Name | 2-(5-methoxyindol-1-yl)acetic acid |
| InChI | InChI=1S/C11H11NO3/c1-15-9-2-3-10-8(6-9)4-5-12(10)7-11(13)14/h2-6H,7H2,1H3,(H,13,14) |
| InChI Key | BNNOCRQLZYVEGV-UHFFFAOYSA-N |
| MDL Number | MFCD09854012 |
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.2099 |
| SMILES | COC=1C=C2C=CN(C2=CC1)CC(=O)O |
| Synonyms | (5-methoxy-1H-indol-1-yl)acetic acid,
2-(5-methoxy-1H-indol-1-yl)acetic acid,
885524-81-2,
AC1Q4EUQ,
SCHEMBL14876186,
CTK7A8301,
BNNOCRQLZYVEGV-UHFFFAOYSA-N,
ALBB-030801,
5-Methoxy-1H-indole-1-acetic acid,
BBL031563,
MFCD09854012,
STK639977,
ZINC13693211,
AKOS005362544,
MCULE-5977101673,
NE44896,
EN300-41137,
F8889-7453,
2-(5-methoxyindol-1-yl)acetic acid,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.213g/mol |
| Monoisotopic Mass | 205.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number