1-Indanone-6-carboxylic Acid - CAS 60031-08-5
Catalog: |
BB030586 |
Product Name: |
1-Indanone-6-carboxylic Acid |
CAS: |
60031-08-5 |
Synonyms: |
3-oxo-1,2-dihydroindene-5-carboxylic acid; 3-oxo-1,2-dihydroindene-5-carboxylic acid |
IUPAC Name: | 3-oxo-1,2-dihydroindene-5-carboxylic acid |
Description: | 1-Indanone-6-carboxylic Acid (CAS# 60031-08-5) is a useful research chemical. |
Molecular Weight: | 176.17 |
Molecular Formula: | C10H8O3 |
Canonical SMILES: | C1CC(=O)C2=C1C=CC(=C2)C(=O)O |
InChI: | InChI=1S/C10H8O3/c11-9-4-3-6-1-2-7(10(12)13)5-8(6)9/h1-2,5H,3-4H2,(H,12,13) |
InChI Key: | BIABIACQHKYEEB-UHFFFAOYSA-N |
Boiling Point: | 375.2 °C at 760 mmHg |
Density: | 1.381 g/cm3 |
MDL: | MFCD02179295 |
LogP: | 1.51370 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021006315-A1 | Negative photosensitive resin composition, cured film, organic el display and method for producing cured film | 20190710 |
US-2019202853-A1 | Dna polymerase beta inhibitors | 20160819 |
US-10711027-B2 | DNA polymerase beta inhibitors | 20160819 |
AU-2017277732-A1 | New (hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them | 20160610 |
CA-3027008-A1 | (hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them | 20160610 |
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: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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