3-Oxo-1-indancarboxylic acid - CAS 29427-69-8
Catalog: |
BB020201 |
Product Name: |
3-Oxo-1-indancarboxylic acid |
CAS: |
29427-69-8 |
Synonyms: |
3-oxo-1,2-dihydroindene-1-carboxylic acid |
IUPAC Name: | 3-oxo-1,2-dihydroindene-1-carboxylic acid |
Description: | 3-Oxo-1-indancarboxylic acid (CAS# 29427-69-8) is a useful research chemical. |
Molecular Weight: | 176.17 |
Molecular Formula: | C10H8O3 |
Canonical SMILES: | C1C(C2=CC=CC=C2C1=O)C(=O)O |
InChI: | InChI=1S/C10H8O3/c11-9-5-8(10(12)13)6-3-1-2-4-7(6)9/h1-4,8H,5H2,(H,12,13) |
InChI Key: | HXLJFMRZKCSTQD-UHFFFAOYSA-N |
Boiling Point: | 365 °C at 760 mmHg |
Melting Point: | 111-113 °C |
Purity: | 98 % |
Density: | 1.384 g/cm3 |
Appearance: | White to yellow solid |
MDL: | MFCD00092224 |
LogP: | 1.44120 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
WO-2020160151-A1 | 15-pgdh inhibitors | 20190131 |
WO-2020154728-A1 | Formulations capable of reacting with or removal of molecular oxygen | 20190126 |
AU-2016269839-A1 | Mobilizing agents and uses therefor | 20150603 |
EP-3302710-A1 | Mobilizing agents and uses therefor | 20150603 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.047344113 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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