| CAS Number | 85743-59-5 |
| Catalog Number | AG004P4M(AGN-PC-0OK22E) |
| Chemical Name | (2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid |
| IUPAC Name | 3-(1,3-benzoxazol-2-yl)prop-2-enoic acid |
| InChI | InChI=1S/C10H7NO3/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-6H,(H,12,13) |
| InChI Key | XNJWCEYKQQMNIC-UHFFFAOYSA-N |
| MDL Number | MFCD01233558 |
| Molecular Formula | C10H7NO3 |
| Molecular Weight | 189.1675 |
| SMILES | OC(/C=C/C1OC2=C(C=CC=C2)N=1)=O |
| Synonyms | 31527-73-8,
3-(1,3-benzoxazol-2-yl)prop-2-enoic acid,
2-Propenoic acid, 3-(2-benzoxazolyl)-,
(2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid,
AC1NF39W,
CTK1B2764,
CTK2I3962,
MCULE-5567682668,
2-Propenoic acid, 3-(2-benzoxazolyl)-, (2E)-,
Z85934030,
85743-59-5,
3-benzooxazol-2-ylprop-2-enoic Acid,
CID4702152,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.17g/mol |
| Monoisotopic Mass | 189.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number