1-Methyl-7-indolecarboxylic Acid - CAS 167479-16-5
Catalog: |
BB012398 |
Product Name: |
1-Methyl-7-indolecarboxylic Acid |
CAS: |
167479-16-5 |
Synonyms: |
1-methyl-7-indolecarboxylic acid; 1-methylindole-7-carboxylic acid |
IUPAC Name: | 1-methylindole-7-carboxylic acid |
Description: | 1-Methyl-7-indolecarboxylic Acid (CAS# 167479-16-5) is a useful research chemical. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | CN1C=CC2=C1C(=CC=C2)C(=O)O |
InChI: | InChI=1S/C10H9NO2/c1-11-6-5-7-3-2-4-8(9(7)11)10(12)13/h2-6H,1H3,(H,12,13) |
InChI Key: | DWKIPLIDZYRILV-UHFFFAOYSA-N |
LogP: | 1.87650 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-202035409-A | Monoacylglycerol lipase modulators | 20180928 |
EP-3423435-A1 | Substituted indole mcl-1 inhibitors | 20160304 |
CN-108349949-A | N- substituted indole derivatives as PGE2 receptor modulators | 20151120 |
US-2020289507-A1 | N-substituted indole derivatives as pge2 receptor modulators | 20151120 |
US-10131653-B2 | Heterocyclic compound | 20150424 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.06332853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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