2-Oxo-2,3-dihydro-1H-indole-6-carboxylic acid - CAS 334952-09-9
Catalog: |
BB021741 |
Product Name: |
2-Oxo-2,3-dihydro-1H-indole-6-carboxylic acid |
CAS: |
334952-09-9 |
Synonyms: |
2-oxo-1,3-dihydroindole-6-carboxylic acid; 2-oxo-1,3-dihydroindole-6-carboxylic acid |
IUPAC Name: | 2-oxo-1,3-dihydroindole-6-carboxylic acid |
Description: | 2-Oxo-2,3-dihydro-1H-indole-6-carboxylic acid (CAS# 334952-09-9) is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C9H7NO3 |
Canonical SMILES: | C1C2=C(C=C(C=C2)C(=O)O)NC1=O |
InChI: | InChI=1S/C9H7NO3/c11-8-4-5-1-2-6(9(12)13)3-7(5)10-8/h1-3H,4H2,(H,10,11)(H,12,13) |
InChI Key: | IIKVTJWRBSYRSA-UHFFFAOYSA-N |
Boiling Point: | 438.1 °C at 760 mmHg |
Purity: | 97 % |
Appearance: | Solid |
LogP: | 1.01740 |
GHS Hazard Statement: | H302 (100%): 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 |
WO-2020150626-A1 | Imidazo[1,2-a]pyridinyl derivatives as irak4 inhibitors | 20190118 |
TW-202028198-A | Monoacylglycerol lipase modulators | 20180928 |
US-2021077481-A1 | Pharmaceutical composition | 20160913 |
EP-3426649-A1 | Indole derivatives and their use as protein kinase inhibitors | 20160308 |
US-10669235-B2 | Indole derivatives and their use as protein kinase inhibitors | 20160308 |
PMID | Publication Date | Title | Journal |
20112454 | 20100201 | Regioselective oxidation of indole- and quinolinecarboxylic acids by cytochrome P450 CYP199A2 | Applied microbiology and biotechnology |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.042593085 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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