Methyl 5-cyano-2-methoxybenzoate - CAS 40757-12-8
Catalog: |
BB056558 |
Product Name: |
Methyl 5-cyano-2-methoxybenzoate |
CAS: |
40757-12-8 |
Synonyms: |
METHYL 5-CYANO-2-METHOXYBENZOATE; 5-cyano-2-methoxy-benzoic acid methyl ester; Methyl5-cyano-2-methoxybenzoate; methyl 2-methoxy-5-cyanobenzoate |
IUPAC Name: | methyl 5-cyano-2-methoxybenzoate |
Description: | Methyl 5-cyano-2-methoxybenzoate |
Molecular Weight: | 191.18 |
Molecular Formula: | C10H9NO3 |
Canonical SMILES: | COC1=C(C=C(C=C1)C#N)C(=O)OC |
InChI: | InChI=1S/C10H9NO3/c1-13-9-4-3-7(6-11)5-8(9)10(12)14-2/h3-5H,1-2H3 |
InChI Key: | PIXOBZFOAGWQGO-UHFFFAOYSA-N |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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