Methyl 2,3-Dihydroxybenzoate - CAS 2411-83-8
Catalog: |
BB018335 |
Product Name: |
Methyl 2,3-Dihydroxybenzoate |
CAS: |
2411-83-8 |
Synonyms: |
2,3-dihydroxybenzoic acid methyl ester; methyl 2,3-dihydroxybenzoate |
IUPAC Name: | methyl 2,3-dihydroxybenzoate |
Description: | Methyl 2,3-Dihydroxybenzoate (CAS# 2411-83-8) is a useful research chemical. |
Molecular Weight: | 168.15 |
Molecular Formula: | C8H8O4 |
Canonical SMILES: | COC(=O)C1=C(C(=CC=C1)O)O |
InChI: | InChI=1S/C8H8O4/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,9-10H,1H3 |
InChI Key: | DOAJWTSNTNAEIY-UHFFFAOYSA-N |
Boiling Point: | 295 °C at 760 mmHg |
Density: | 1.354 g/cm3 |
LogP: | 0.88440 |
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-112120982-A | Preparation method of traditional Chinese medicine antibacterial hand sanitizer | 20200929 |
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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: | 1.5 |
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