Methyl 4-Cyano-3-methylbenzoate - CAS 25978-68-1
Catalog: |
BB019088 |
Product Name: |
Methyl 4-Cyano-3-methylbenzoate |
CAS: |
25978-68-1 |
Synonyms: |
4-cyano-3-methylbenzoic acid methyl ester; methyl 4-cyano-3-methylbenzoate |
IUPAC Name: | methyl 4-cyano-3-methylbenzoate |
Description: | Methyl 4-Cyano-3-methylbenzoate (CAS# 25978-68-1) is a useful research chemical. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)C(=O)OC)C#N |
InChI: | InChI=1S/C10H9NO2/c1-7-5-8(10(12)13-2)3-4-9(7)6-11/h3-5H,1-2H3 |
InChI Key: | LIXWSMOADOOTOR-UHFFFAOYSA-N |
Boiling Point: | 311.8 °C at 760 mmHg |
Density: | 1.15 g/cm3 |
MDL: | MFCD11655969 |
LogP: | 1.65328 |
Publication Number | Title | Priority Date |
WO-2020156241-A1 | Aromatic ring or heteroaromatic ring compounds, preparation method therefor and medical use thereof | 20190131 |
CN-112955448-A | Aromatic ring or aromatic heterocyclic compound and preparation method and medical application thereof | 20190131 |
EP-3197455-A1 | Inhibitors of hif prolyl hydroxylase | 20140928 |
US-10000501-B2 | Inhibitors of HIF prolyl hydroxylase | 20140928 |
US-2017240555-A1 | Inhibitors of hif prolyl hydroxylase | 20140928 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.06332853 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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