Methyl 3-hydroxy-2-naphthoate - CAS 883-99-8
Catalog: |
BB038847 |
Product Name: |
Methyl 3-hydroxy-2-naphthoate |
CAS: |
883-99-8 |
Synonyms: |
methyl 3-hydroxynaphthalene-2-carboxylate |
IUPAC Name: | methyl 3-hydroxynaphthalene-2-carboxylate |
Description: | Methyl 3-hydroxy-2-naphthoate (CAS# 883-99-8) is a degredation product of Triadimefon, a fungicide used for the management of sugarcane smut. |
Molecular Weight: | 202.21 |
Molecular Formula: | C12H10O3 |
Canonical SMILES: | COC(=O)C1=CC2=CC=CC=C2C=C1O |
InChI: | InChI=1S/C12H10O3/c1-15-12(14)10-6-8-4-2-3-5-9(8)7-11(10)13/h2-7,13H,1H3 |
InChI Key: | YVVBECLPRBAATK-UHFFFAOYSA-N |
Boiling Point: | 205-207 °C |
Melting Point: | 73-75 °C |
Purity: | > 99.0 % (GC) |
Density: | 1.264 g/cm3 |
MDL: | MFCD00004099 |
LogP: | 2.33200 |
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 |
17929883 | 20071101 | Necrosis avidity of (99m)Tc(CO)3-labeled pamoic acid derivatives: synthesis and preliminary biological evaluation in animal models of necrosis | Bioconjugate chemistry |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.062994177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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