Methyl 4-Methylindole-2-carboxylate - CAS 136831-13-5
Catalog: |
BB008433 |
Product Name: |
Methyl 4-Methylindole-2-carboxylate |
CAS: |
136831-13-5 |
Synonyms: |
4-methyl-1H-indole-2-carboxylic acid methyl ester; methyl 4-methyl-1H-indole-2-carboxylate |
IUPAC Name: | methyl 4-methyl-1H-indole-2-carboxylate |
Description: | Methyl 4-Methylindole-2-carboxylate (CAS# 136831-13-5) is a useful research chemical. |
Molecular Weight: | 189.21 |
Molecular Formula: | C11H11NO2 |
Canonical SMILES: | CC1=C2C=C(NC2=CC=C1)C(=O)OC |
InChI: | InChI=1S/C11H11NO2/c1-7-4-3-5-9-8(7)6-10(12-9)11(13)14-2/h3-6,12H,1-2H3 |
InChI Key: | JQTOCKRAYJKZOI-UHFFFAOYSA-N |
MDL: | MFCD04966966 |
LogP: | 2.26290 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3481817-A1 | Spirolactams as inhibitors of rock | 20160707 |
JP-2019520398-A | Spirolactams as ROCK inhibitors | 20160707 |
KR-20190025682-A | Spirolactam as an inhibitor of ROCK | 20160707 |
US-10696674-B2 | Spirolactams as inhibitors of ROCK | 20160707 |
US-2019322664-A1 | Spirolactams as inhibitors of rock | 20160707 |
PMID | Publication Date | Title | Journal |
14985810 | 20040307 | Synthesis of the 2,3,4-trisubstituted indole fragments of nosiheptide and glycothiohexide | Organic & biomolecular chemistry |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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