5-(4-Methoxyphenyl)-4,5-dihydroisoxazole-3-carboxylic acid - CAS 1018051-51-8
Catalog: |
BB042904 |
Product Name: |
5-(4-Methoxyphenyl)-4,5-dihydroisoxazole-3-carboxylic acid |
CAS: |
1018051-51-8 |
Synonyms: |
SBB026433; STK353361 |
IUPAC Name: | 5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid |
Description: | 5-(4-Methoxyphenyl)-4,5-dihydroisoxazole-3-carboxylic acid (CAS# 1018051-51-8 ) is a useful research chemical. |
Molecular Weight: | 221.21 |
Molecular Formula: | C11H11NO4 |
Canonical SMILES: | COC1=CC=C(C=C1)C2CC(=NO2)C(=O)O |
InChI: | InChI=1S/C11H11NO4/c1-15-8-4-2-7(3-5-8)10-6-9(11(13)14)12-16-10/h2-5,10H,6H2,1H3,(H,13,14) |
InChI Key: | ICBZRFUYAIZNTN-UHFFFAOYSA-N |
Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.06880783 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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