Methyl 5-(4-Isopropylphenyl)isoxazole-3-carboxylate - CAS 1375064-54-2
Catalog: |
BB008595 |
Product Name: |
Methyl 5-(4-Isopropylphenyl)isoxazole-3-carboxylate |
CAS: |
1375064-54-2 |
Synonyms: |
5-(4-propan-2-ylphenyl)-3-isoxazolecarboxylic acid methyl ester; methyl 5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylate |
IUPAC Name: | methyl 5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylate |
Description: | Methyl 5-(4-Isopropylphenyl)isoxazole-3-carboxylate (CAS# 1375064-54-2) is a useful research chemical. |
Molecular Weight: | 245.27 |
Molecular Formula: | C14H15NO3 |
Canonical SMILES: | CC(C)C1=CC=C(C=C1)C2=CC(=NO2)C(=O)OC |
InChI: | InChI=1S/C14H15NO3/c1-9(2)10-4-6-11(7-5-10)13-8-12(15-18-13)14(16)17-3/h4-9H,1-3H3 |
InChI Key: | HWLJIBJSSAAPAJ-UHFFFAOYSA-N |
LogP: | 3.25160 |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.10519334 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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