| CAS Number | 33413-42-2 |
| Catalog Number | AG00IKVM(AGN-PC-00OEJD) |
| Chemical Name | 1H-Indene-3-acetic acid, 5-methoxy-2-methyl- |
| IUPAC Name | 2-(6-methoxy-2-methyl-3H-inden-1-yl)acetic acid |
| InChI | InChI=1S/C13H14O3/c1-8-5-9-3-4-10(16-2)6-12(9)11(8)7-13(14)15/h3-4,6H,5,7H2,1-2H3,(H,14,15) |
| InChI Key | ZDWQHACRQPVJEQ-UHFFFAOYSA-N |
| MDL Number | MFCD24480100 |
| Molecular Formula | C13H14O3 |
| Molecular Weight | 218.2485 |
| SMILES | COC1=CC2=C(CC(C)=C2CC(O)=O)C=C1 |
| Synonyms | 2-(5-methoxy-2-methyl-1H-inden-3-yl)acetic acid,
33413-42-2,
SCHEMBL7100367,
ZDWQHACRQPVJEQ-UHFFFAOYSA-N,
MFCD24480100,
ZINC34191698,
AKOS022652915,
5-methoxy-2-methyl-3-indenylacetic acid,
AS-42909,
CS-0052260,
1H-Indene-3-acetic acid, 5-methoxy-2-methyl-,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.252g/mol |
| Monoisotopic Mass | 218.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number