2-(3-Methoxyphenyl)pyrimidine-5-carboxaldehye - CAS 1119398-70-7
Catalog: |
BB060072 |
Product Name: |
2-(3-Methoxyphenyl)pyrimidine-5-carboxaldehye |
CAS: |
1119398-70-7 |
Synonyms: |
2-(3-Methoxyphenyl)-5-pyrimidinecarboxaldehyde |
IUPAC Name: | 2-(3-methoxyphenyl)pyrimidine-5-carbaldehyde |
Description: | 2-(3-Methoxyphenyl)pyrimidine-5-carboxaldehye |
Molecular Weight: | 214.22 |
Molecular Formula: | C12H10N2O2 |
Canonical SMILES: | COC1=CC=CC(=C1)C2=NC=C(C=N2)C=O |
InChI: | InChI=1S/C12H10N2O2/c1-16-11-4-2-3-10(5-11)12-13-6-9(8-15)7-14-12/h2-8H,1H3 |
InChI Key: | HTUAVCQIBHEFHE-UHFFFAOYSA-N |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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