5-(Phenylmethyl)-2-oxazolecarboxylic Acid - CAS 1357955-62-4
Catalog: |
BB058199 |
Product Name: |
5-(Phenylmethyl)-2-oxazolecarboxylic Acid |
CAS: |
1357955-62-4 |
Synonyms: |
5-Benzyloxazole-2-carboxylic acid; 5-Benzyl-oxazole-2-carboxylic acid; 5-benzyl-1,3-oxazole-2-carboxylic acid; 5-(Phenylmethyl)-2-oxazolecarboxylic Acid |
IUPAC Name: | 5-benzyl-1,3-oxazole-2-carboxylic acid |
Description: | 5-(Phenylmethyl)-2-oxazolecarboxylic Acid, is an organic intermediate for the synthesis of pharmaceutical goods. |
Molecular Weight: | 203.19 |
Molecular Formula: | C11H9NO3 |
Canonical SMILES: | C1=CC=C(C=C1)CC2=CN=C(O2)C(=O)O |
InChI: | InChI=1S/C11H9NO3/c13-11(14)10-12-7-9(15-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14) |
InChI Key: | SBJWZQMUDVTOGG-UHFFFAOYSA-N |
References: | 1. Schuehly W. et al. Chem Biol. 2011 Aug 26;18(8):1053-64 2. Gouin T. et al. Environ Pollut. 2012 Jun;165:208-14.. |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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