Methyl 2,5-dimethoxybenzoate - CAS 2150-40-5
Catalog: |
BB076909 |
Product Name: |
Methyl 2,5-dimethoxybenzoate |
CAS: |
2150-40-5 |
Synonyms: |
2,5-Dimethoxybenzoic acid methyl ester; Benzoic acid, 2,5-dimethoxy-, methyl ester |
IUPAC Name: | methyl 2,5-dimethoxybenzoate |
Molecular Weight: | 196.20 |
Molecular Formula: | C10H12O4 |
Canonical SMILES: | COC1=CC(=C(C=C1)OC)C(=O)OC |
InChI: | InChI=1S/C10H12O4/c1-12-7-4-5-9(13-2)8(6-7)10(11)14-3/h4-6H,1-3H3 |
InChI Key: | AKAPOSLZQKGWGT-UHFFFAOYSA-N |
Boiling Point: | 296.7±20.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.119±0.1 g/cm3 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.07355886 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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