1-Methylindole-2-carboxylic acid - CAS 16136-58-6
Catalog: |
BB011737 |
Product Name: |
1-Methylindole-2-carboxylic acid |
CAS: |
16136-58-6 |
Synonyms: |
1-methylindole-2-carboxylic acid |
IUPAC Name: | 1-methylindole-2-carboxylic acid |
Description: | 1-Methylindole-2-carboxylic acid (CAS# 16136-58-6) is a useful research chemical. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | CN1C2=CC=CC=C2C=C1C(=O)O |
InChI: | InChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h2-6H,1H3,(H,12,13) |
InChI Key: | MAHAMBLNIDMREX-UHFFFAOYSA-N |
Boiling Point: | 389 °C at 760 mmHg |
Melting Point: | 212-213 °C (dec.) |
Purity: | 95 % |
Density: | 1.38 g/cm3 |
Appearance: | Beige crystalline powder |
MDL: | MFCD00005801 |
LogP: | 1.87650 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112979672-A | 11, 20-dicarbonyl oridonin 14-O esterified series derivatives and application thereof | 20210305 |
CN-112209930-A | Istradefylline derivative and preparation method and application thereof | 20201023 |
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WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
PMID | Publication Date | Title | Journal |
15115392 | 20040506 | Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening | Journal of medicinal chemistry |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.063328530 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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