| CAS Number | 959241-61-3 |
| Catalog Number | AG005WGW(AGN-PC-0WB44L) |
| Chemical Name | 2-(7-Methyl-2-oxoindolin-3-yl)acetic acid |
| IUPAC Name | 2-(7-methyl-2-oxo-1,3-dihydroindol-3-yl)acetic acid |
| InChI | InChI=1S/C11H11NO3/c1-6-3-2-4-7-8(5-9(13)14)11(15)12-10(6)7/h2-4,8H,5H2,1H3,(H,12,15)(H,13,14) |
| InChI Key | WUUIYXLJVZVXHC-UHFFFAOYSA-N |
| MDL Number | MFCD09864619 |
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.2099 |
| SMILES | N1C2=C(C)C=CC=C2C(CC(O)=O)C1=O |
| Synonyms | 959241-61-3,
(7-Methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid,
2-(7-Methyl-2-oxoindolin-3-yl)acetic acid,
CTK5H8418,
DTXSID60672520,
MFCD09864619,
AKOS006340220,
MCULE-6437266692,
DA-18687,
FT-0723355,
Y-5918,
2-(7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid,
(7-Methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid, AldrichCPR,
aceticacid,
|
| Complexity | 290 |
| 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 | 2 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
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\N
|
|
Hazard statements
|
H302
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number