| CAS Number | 920297-27-4 |
| Catalog Number | AG01A2SH(AGN-PC-0VXU61) |
| Chemical Name | ethyl 2-(oxan-4-yl)propanoate |
| IUPAC Name | ethyl 2-(oxan-4-yl)propanoate |
| InChI | InChI=1S/C10H18O3/c1-3-13-10(11)8(2)9-4-6-12-7-5-9/h8-9H,3-7H2,1-2H3 |
| InChI Key | BZQJYCUZVIJNJJ-UHFFFAOYSA-N |
| MDL Number | MFCD21607038 |
| Molecular Formula | C10H18O3 |
| Molecular Weight | 186.2481 |
| SMILES | CCOC(C(C1CCOCC1)C)=O |
| Synonyms | ethyl 2-(oxan-4-yl)propanoate,
920297-27-4,
Ethyl 2-(tetrahydro-2H-pyran-4-yl)propanoate,
SCHEMBL1565359,
BZQJYCUZVIJNJJ-UHFFFAOYSA-N,
2H-Pyran-4-acetic acid, tetrahydro-alpha-methyl-, ethyl ester,
AKOS033393853,
MCULE-2174256499,
NE41955,
2-(Tetrahydro-pyran-4-yl)-propionic acid ethyl ester,
Z1518800633,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.251g/mol |
| Monoisotopic Mass | 186.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number