| CAS Number | 88572-21-8 |
| Catalog Number | AG004BE5(AGN-PC-0JXW4I) |
| Chemical Name | 2H-Pyran-4-carboxylicacid, tetrahydro-2-methyl- |
| IUPAC Name | 2-methyloxane-4-carboxylic acid |
| InChI | InChI=1S/C7H12O3/c1-5-4-6(7(8)9)2-3-10-5/h5-6H,2-4H2,1H3,(H,8,9) |
| InChI Key | YKGYMBGOLZPBOL-UHFFFAOYSA-N |
| MDL Number | MFCD01547811 |
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.1684 |
| SMILES | CC1OCCC(C1)C(=O)O |
| Synonyms | 2-methyloxane-4-carboxylic Acid,
88572-21-8,
2-methyltetrahydro-2H-pyran-4-carboxylic acid,
2H-Pyran-4-carboxylicacid, tetrahydro-2-methyl-,
ACMC-20lbi0,
AC1MV9A7,
SCHEMBL1413457,
CTK3E6648,
DTXSID40395624,
AKOS013417314,
MCULE-8051149188,
NE17886,
CS-0058244,
Z1601554962,
C7H12O3,
CID3729256,
2H-Pyran-4-carboxylic acid, tetrahydro-2-methyl- (9CI),
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| Complexity | 133 |
| 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 | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number