1-Oxoindane-5-carboxylic Acid - CAS 3470-45-9
Catalog: |
BB022247 |
Product Name: |
1-Oxoindane-5-carboxylic Acid |
CAS: |
3470-45-9 |
Synonyms: |
1-oxo-2,3-dihydroindene-5-carboxylic acid; 1-oxo-2,3-dihydroindene-5-carboxylic acid |
IUPAC Name: | 1-oxo-2,3-dihydroindene-5-carboxylic acid |
Description: | 1-Oxoindane-5-carboxylic Acid (CAS# 3470-45-9) is a useful research chemical. |
Molecular Weight: | 176.17 |
Molecular Formula: | C10H8O3 |
Canonical SMILES: | C1CC(=O)C2=C1C=C(C=C2)C(=O)O |
InChI: | InChI=1S/C10H8O3/c11-9-4-2-6-5-7(10(12)13)1-3-8(6)9/h1,3,5H,2,4H2,(H,12,13) |
InChI Key: | SLLCLJRVOCBDTC-UHFFFAOYSA-N |
Boiling Point: | 389.1 ℃ at 760 mmHg |
Density: | 1.381 g/cm3 |
LogP: | 1.51370 |
Publication Number | Title | Priority Date |
WO-2020160151-A1 | 15-pgdh inhibitors | 20190131 |
CN-105473563-A | Isothiazoline compounds substituted with a carbobicyclic group | 20130624 |
EP-2916836-A1 | Amino-pyridine-containing spleen tyrosine kinase (syk) inhibitors | 20121107 |
US-2015284381-A1 | Amino-pyridine-containing spleen tyrosine kinase (syk) inhibitors | 20121107 |
WO-2014074422-A1 | Amino-pyridine-containing spleen tyrosine kinase (syk) inhibitors | 20121107 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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