| CAS Number | 894789-82-3 |
| Catalog Number | AG00IFQQ(AGN-PC-038PNA) |
| Chemical Name | tert-Butyl 2-(tetrahydro-4h-pyran-4-ylidene)acetate |
| IUPAC Name | tert-butyl 2-(oxan-4-ylidene)acetate |
| InChI | InChI=1S/C11H18O3/c1-11(2,3)14-10(12)8-9-4-6-13-7-5-9/h8H,4-7H2,1-3H3 |
| InChI Key | OLTQCCDQAVEAIU-UHFFFAOYSA-N |
| MDL Number | MFCD22415212 |
| Molecular Formula | C11H18O3 |
| Molecular Weight | 198.2588 |
| SMILES | CC(OC(/C=C1CCOCC1)=O)(C)C |
| Synonyms | 894789-82-3,
TERT-BUTYL 2-(TETRAHYDRO-4H-PYRAN-4-YLIDENE)ACETATE,
tert-Butyl 2-(dihydro-2H-pyran-4(3H)-ylidene)acetate,
tert-butyl 2-(oxan-4-ylidene)acetate,
SCHEMBL7300563,
ZINC95629919,
AKOS023592489,
PB21571,
CS-0057474,
Q-1720,
Acetic acid, (tetrahydro-4H-pyran-4-ylidene)-, 1,1-dimethylethyl ester,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.262g/mol |
| Monoisotopic Mass | 198.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number