2,3-Dihydrobenzofuran-5-carboxylic Acid - CAS 76429-73-7
Catalog: |
BB035570 |
Product Name: |
2,3-Dihydrobenzofuran-5-carboxylic Acid |
CAS: |
76429-73-7 |
Synonyms: |
2,3-dihydrobenzofuran-5-carboxylic acid; 2,3-dihydro-1-benzofuran-5-carboxylic acid |
IUPAC Name: | 2,3-dihydro-1-benzofuran-5-carboxylic acid |
Description: | 2,3-Dihydrobenzofuran-5-carboxylic Acid (CAS# 76429-73-7) is a useful research chemical. |
Molecular Weight: | 164.16 |
Molecular Formula: | C9H8O3 |
Canonical SMILES: | C1COC2=C1C=C(C=C2)C(=O)O |
InChI: | InChI=1S/C9H8O3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2,(H,10,11) |
InChI Key: | YXYOLVAXVPOIMA-UHFFFAOYSA-N |
Boiling Point: | 336.553 °C at 760 mmHg |
Density: | 1.345 g/cm3 |
LogP: | 1.31970 |
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-2021102300-A1 | Piperazine compounds for inhibiting cps1 | 20191122 |
WO-2019154956-A1 | Non-fused thiophene derivatives and their uses | 20180208 |
EP-3749650-A1 | Non-fused thiophene derivatives and their uses | 20180208 |
US-2021040059-A1 | Non-fused thiophene derivatives and their uses | 20180208 |
EP-3661941-A1 | Thiazolopyridine derivatives as adenosine receptor antagonists | 20170801 |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.047344113 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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