| CAS Number | 151590-36-2 |
| Catalog Number | AG00AYR2(AGN-PC-0WG3T1) |
| Chemical Name | (E)-3-(6-Methyl-1H-indol-3-YL)acrylic acid |
| IUPAC Name | (E)-3-(6-methyl-1H-indol-3-yl)prop-2-enoic acid |
| InChI | InChI=1S/C12H11NO2/c1-8-2-4-10-9(3-5-12(14)15)7-13-11(10)6-8/h2-7,13H,1H3,(H,14,15)/b5-3+ |
| InChI Key | UCCFXXRAQYXSLZ-HWKANZROSA-N |
| MDL Number | MFCD06205884 |
| Molecular Formula | C12H11NO2 |
| Molecular Weight | 201.2212 |
| SMILES | Cc1ccc2c(C=CC(O)=O)c[nH]c2c1 |
| Synonyms | (E)-3-(6-METHYL-1H-INDOL-3-YL)ACRYLIC ACID,
151590-36-2,
SCHEMBL19178909,
MFCD06205884,
ZINC20269230,
CS-0035670,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 201.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.225g/mol |
| Monoisotopic Mass | 201.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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