5-Methyl-2-(2-pyrimidyl)benzoic Acid - CAS 1088994-22-2
Catalog: |
BB002356 |
Product Name: |
5-Methyl-2-(2-pyrimidyl)benzoic Acid |
CAS: |
1088994-22-2 |
Synonyms: |
5-methyl-2-(2-pyrimidinyl)benzoic acid; 5-methyl-2-pyrimidin-2-ylbenzoic acid |
IUPAC Name: | 5-methyl-2-pyrimidin-2-ylbenzoic acid |
Description: | 5-Methyl-2-(2-pyrimidyl)benzoic Acid (CAS# 1088994-22-2) is a useful research chemical. |
Molecular Weight: | 214.22 |
Molecular Formula: | C12H10N2O2 |
Canonical SMILES: | CC1=CC(=C(C=C1)C2=NC=CC=N2)C(=O)O |
InChI: | InChI=1S/C12H10N2O2/c1-8-3-4-9(10(7-8)12(15)16)11-13-5-2-6-14-11/h2-7H,1H3,(H,15,16) |
InChI Key: | WKBKHXGASBZRMI-UHFFFAOYSA-N |
Boiling Point: | 315.514 ℃ at 760 mmHg |
Density: | 1.26 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.15020 |
Publication Number | Title | Priority Date |
CN-112480107-A | Substituted azabicyclooctane compounds, intermediates therefor and processes for their preparation | 20201130 |
AU-2018326734-A1 | Substituted 2-azabicyclo(3.1.1)heptane and 2-azabicyclo(3.2.1)octane derivatives as orexin receptor antagonists | 20170901 |
CA-3074059-A1 | Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists | 20170901 |
GB-2558975-A | New compounds | 20170901 |
KR-20200066295-A | Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists | 20170901 |
Complexity: | 251 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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