5-Oxazolecarboxylic acid, 4,5-dihydro-2,4-diphenyl-, (4S,5R)- - CAS 158722-22-6
Catalog: |
BB053732 |
Product Name: |
5-Oxazolecarboxylic acid, 4,5-dihydro-2,4-diphenyl-, (4S,5R)- |
CAS: |
158722-22-6 |
Synonyms: |
(4S,5R)-2,4-Diphenyl-4,5-dihydrooxazole-5-carboxylicacid |
IUPAC Name: | (4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid |
Molecular Weight: | 267.28 |
Molecular Formula: | C16H13NO3 |
Canonical SMILES: | C1=CC=C(C=C1)C2C(OC(=N2)C3=CC=CC=C3)C(=O)O |
InChI: | InChI=1S/C16H13NO3/c18-16(19)14-13(11-7-3-1-4-8-11)17-15(20-14)12-9-5-2-6-10-12/h1-10,13-14H,(H,18,19)/t13-,14+/m0/s1 |
InChI Key: | BPBOFBFRBITMMR-UONOGXRCSA-N |
Boiling Point: | 486.3±45.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 381 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.08954328 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 58.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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