| CAS Number | 861444-92-0 |
| Catalog Number | AG00H31F(AGN-PC-0V2T1T) |
| Chemical Name | 2-Methyl-2-(tetrahydro-2H-pyran-4-yl)propanoic acid |
| IUPAC Name | 2-methyl-2-(oxan-4-yl)propanoic acid |
| InChI | InChI=1S/C9H16O3/c1-9(2,8(10)11)7-3-5-12-6-4-7/h7H,3-6H2,1-2H3,(H,10,11) |
| InChI Key | WSSGLIOHZIVSFE-UHFFFAOYSA-N |
| MDL Number | MFCD18374731 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | CC(C(O)=O)(C1CCOCC1)C |
| Synonyms | 861444-92-0,
2-Methyl-2-(tetrahydro-2H-pyran-4-yl)propanoic acid,
2-methyl-2-(oxan-4-yl)propanoic acid,
2-methyl-2-(tetrahydro-pyran-4-yl)-propionic acid,
2-methyl-2-tetrahydro-2H-pyran-4-ylpropanoic acid,
SCHEMBL1049794,
WSSGLIOHZIVSFE-UHFFFAOYSA-N,
1783AJ,
ZINC83138215,
AKOS017514926,
NCGC00453040-01,
AJ-125767,
FT-0727914,
Z-6572,
2-Methyl -2-(tetrahydro-pyran-4-yl)-propionic acid,
F8887-7935,
Z1966493094,
C9H16O3,
2-(tetrahydro-2H-pyran-4-yl)-2-methylpropanoic acid,
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| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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