4-Oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylic Acid - CAS 56671-28-4
Catalog: |
BB029455 |
Product Name: |
4-Oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylic Acid |
CAS: |
56671-28-4 |
Synonyms: |
4-oxo-6,7-dihydro-5H-benzofuran-3-carboxylic acid; 4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid |
IUPAC Name: | 4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid |
Description: | 4-Oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylic Acid (CAS# 56671-28-4) is a useful research chemical. |
Molecular Weight: | 180.16 |
Molecular Formula: | C9H8O4 |
Canonical SMILES: | C1CC2=C(C(=O)C1)C(=CO2)C(=O)O |
InChI: | InChI=1S/C9H8O4/c10-6-2-1-3-7-8(6)5(4-13-7)9(11)12/h4H,1-3H2,(H,11,12) |
InChI Key: | FABBWECRHZNMDQ-UHFFFAOYSA-N |
Boiling Point: | 383.5 °C at 760 mmHg |
Density: | 1.406 g/cm3 |
MDL: | MFCD00052170 |
LogP: | 1.49680 |
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 |
CN-111718923-A | Screening method of medicine for treating soft rot of Chinese cabbage | 20200630 |
AU-2018360857-A1 | Modulators of the integrated stress pathway | 20171102 |
CA-3080806-A1 | Modulators of the integrated stress pathway | 20171102 |
TW-201927756-A | Integrating stress pathway regulator | 20171102 |
WO-2019090076-A1 | Modulators of the integrated stress pathway | 20171102 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.04225873 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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