4-Methoxymandelic acid - CAS 10502-44-0
Catalog: |
BB001542 |
Product Name: |
4-Methoxymandelic acid |
CAS: |
10502-44-0 |
Synonyms: |
2-hydroxy-2-(4-methoxyphenyl)acetic acid |
IUPAC Name: | 2-hydroxy-2-(4-methoxyphenyl)acetic acid |
Description: | 4-Methoxymandelic acid (CAS# 10502-44-0) is a useful research chemical. |
Molecular Weight: | 182.17 |
Molecular Formula: | C9H10O4 |
Canonical SMILES: | COC1=CC=C(C=C1)C(C(=O)O)O |
InChI: | InChI=1S/C9H10O4/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12) |
InChI Key: | ITECRQOOEQWFPE-UHFFFAOYSA-N |
Boiling Point: | 370.4 °C at 760 mmHg |
Melting Point: | 108-111 °C |
Purity: | 95 % |
Density: | 1.309 g/cm3 |
Appearance: | Light yellow powder |
MDL: | MFCD00004233 |
LogP: | 0.81320 |
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-111471663-A | Method for immobilizing pseudomonas fluorescens lipase by using metal organic framework material | 20200417 |
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PMID | Publication Date | Title | Journal |
18424219 | 20080901 | An efficient and practical synthesis of mandelic acid by combination of complex phase transfer catalyst and ultrasonic irradiation | Ultrasonics sonochemistry |
16781814 | 20060901 | Bioelectrocatalytic properties of lignin peroxidase from Phanerochaete chrysosporium in reactions with phenols, catechols and lignin-model compounds | Biochimica et biophysica acta |
11459664 | 20010723 | alpha-Ketocarboxylic acid-based inhibitors of protein tyrosine phosphatases | Bioorganic & medicinal chemistry letters |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.05790880 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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