Methyl 3-Cyano-4-hydroxybenzoate - CAS 156001-68-2
Catalog: |
BB011193 |
Product Name: |
Methyl 3-Cyano-4-hydroxybenzoate |
CAS: |
156001-68-2 |
Synonyms: |
3-cyano-4-hydroxybenzoic acid methyl ester; methyl 3-cyano-4-hydroxybenzoate |
IUPAC Name: | methyl 3-cyano-4-hydroxybenzoate |
Description: | Methyl 3-Cyano-4-hydroxybenzoate (CAS# 156001-68-2) is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C9H7NO3 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)O)C#N |
InChI: | InChI=1S/C9H7NO3/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4,11H,1H3 |
InChI Key: | AHPCEMBOTQXADD-UHFFFAOYSA-N |
Boiling Point: | 336.305 °C at 760 mmHg |
Density: | 1.328 g/cm3 |
Appearance: | Solid |
LogP: | 1.05048 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110526881-B | Naphthylamine compound and biologically acceptable salt thereof, and preparation method and application thereof | 20190827 |
WO-2020156323-A1 | Immunomodulators, compositions and methods thereof | 20190131 |
CN-113365995-A | Immunomodulator, composition and method thereof | 20190131 |
CN-109956912-A | Carboxylic acid compound, preparation method and the medical usage of the oxadiazoles containing diphenyl | 20171226 |
CN-111247129-A | Piperazine derivatives as MAGL inhibitors | 20171010 |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.042593085 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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