4-Formyl-3-hydroxybenzoic acid - CAS 619-12-5
Catalog: |
BB031320 |
Product Name: |
4-Formyl-3-hydroxybenzoic acid |
CAS: |
619-12-5 |
Synonyms: |
4-formyl-3-hydroxybenzoic acid |
IUPAC Name: | 4-formyl-3-hydroxybenzoic acid |
Description: | 4-Formyl-3-hydroxybenzoic acid (CAS# 619-12-5) is used in preparation of benzofuran derivatives. |
Molecular Weight: | 166.13 |
Molecular Formula: | C8H6O4 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)O)C=O |
InChI: | InChI=1S/C8H6O4/c9-4-6-2-1-5(8(11)12)3-7(6)10/h1-4,10H,(H,11,12) |
InChI Key: | FDDHFCWYCKQKGY-UHFFFAOYSA-N |
Boiling Point: | 355 °C at 760 mmHg |
Density: | 1.482 g/cm3 |
Appearance: | White crystals |
MDL: | MFCD05865188 |
LogP: | 0.90290 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111812069-A | Method for rapidly detecting zinc ions in traditional Chinese medicine on site | 20200630 |
CN-109776377-B | Indoline compound and preparation method and application thereof | 20190201 |
WO-2019087162-A1 | Polycyclic herg activators | 20171106 |
WO-2019049049-A1 | SALTS, CO-CRYSTALS, AND CO-CRYSTAL COMPLEXES OF NICOTINE SALTS | 20170905 |
EP-3681865-A1 | Nicotine salts, co-crystals, and salt co-crystal complexes | 20170905 |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.02660867 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.02660867 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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