| CAS Number | 871329-30-5 |
| Catalog Number | AG01A13X(AGN-PC-00BE1X) |
| Chemical Name | 5-[(4-Hydroxyphenyl)methyl]oxolan-2-one |
| IUPAC Name | 5-[(4-hydroxyphenyl)methyl]oxolan-2-one |
| InChI | InChI=1S/C11H12O3/c12-9-3-1-8(2-4-9)7-10-5-6-11(13)14-10/h1-4,10,12H,5-7H2 |
| InChI Key | OXASBXALVLRTKO-UHFFFAOYSA-N |
| MDL Number | MFCD22392160 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | OC1=CC=C(CC2OC(=O)CC2)C=C1 |
| Synonyms | 5-[(4-hydroxyphenyl)methyl]oxolan-2-one,
871329-30-5,
5-(4-Hydroxybenzyl)dihydrofuran-2(3H)-one,
AKOS026728114,
MCULE-1754281384,
NE51882,
5-(4'-hydroxyphenyl)-gamma-valerolactone,
5-(4-Hydroxybenzyl)tetrahydrofuran-2-one,
Z1463349711,
CID11550142,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.214g/mol |
| Monoisotopic Mass | 192.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number