| CAS Number | 1158760-05-4 |
| Catalog Number | AG01A4Y2(AGN-PC-0WO6SF) |
| Chemical Name | 3-Methyloxane-3-carboxylic acid |
| IUPAC Name | 3-methyloxane-3-carboxylic acid |
| InChI | InChI=1S/C7H12O3/c1-7(6(8)9)3-2-4-10-5-7/h2-5H2,1H3,(H,8,9) |
| InChI Key | GYXCLKMUISFKJR-UHFFFAOYSA-N |
| MDL Number | MFCD12406617 |
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.1684 |
| SMILES | CC1(C(O)=O)COCCC1 |
| Synonyms | 3-methyloxane-3-carboxylic acid,
1158760-05-4,
3-methyloxane-3-carboxylicacid,
SCHEMBL16369860,
GYXCLKMUISFKJR-UHFFFAOYSA-N,
AKOS012314381,
MCULE-3722771180,
NE51600,
SB12671,
3-Methyltetrahydropyran-3-carboxylic Acid,
3-methyltetrahydro-2H-pyran-3-carboxylic acid,
Z1868431117,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.17g/mol |
| Monoisotopic Mass | 144.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number