2-Hydroxy-3-methoxybenzoic acid - CAS 877-22-5
Catalog: |
BB038611 |
Product Name: |
2-Hydroxy-3-methoxybenzoic acid |
CAS: |
877-22-5 |
Synonyms: |
2-hydroxy-3-methoxybenzoic acid |
IUPAC Name: | 2-hydroxy-3-methoxybenzoic acid |
Description: | 2-Hydroxy-3-methoxybenzoic acid (CAS# 877-22-5) is a derivative of Vanillic Acid (V097350), used as a flavoring agent. o-Vanillic Acid, is also a building block used for the synthesis of more complex pharmaceutical compounds such as Warfarin (W498500), and Phenprocoumon (P318820). |
Molecular Weight: | 168.15 |
Molecular Formula: | C8H8O4 |
Canonical SMILES: | COC1=CC=CC(=C1O)C(=O)O |
InChI: | InChI=1S/C8H8O4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3,(H,10,11) |
InChI Key: | AUZQQIPZESHNMG-UHFFFAOYSA-N |
Boiling Point: | 315.7 °C at 760 mmHg |
Density: | 1.351 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00002445 |
LogP: | 1.09900 |
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 |
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PMID | Publication Date | Title | Journal |
22493944 | 20120503 | Photoinduced reactivity of doxorubicin: catalysis and degradation | The journal of physical chemistry. A |
22313179 | 20120308 | Copper(II) complexes of salicylic acid combining superoxide dismutase mimetic properties with DNA binding and cleaving capabilities display promising chemotherapeutic potential with fast acting in vitro cytotoxicity against cisplatin sensitive and resistant cancer cell lines | Journal of medicinal chemistry |
21202083 | 20080312 | 2-Hydr-oxy-3-methoxy-benzoic acid monohydrate | Acta crystallographica. Section E, Structure reports online |
17686452 | 20071015 | Doxorubicin inhibits oxidation of 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonate) (ABTS) by a lactoperoxidase/H(2)O(2) system by reacting with ABTS-derived radical | Archives of biochemistry and biophysics |
17497896 | 20070601 | Inactivation of anthracyclines by serum heme proteins | Chemical research in toxicology |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.04225873 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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