| CAS Number | 876716-61-9 |
| Catalog Number | AG004H65(AGN-PC-0WB3G4) |
| Chemical Name | 2-((Tetrahydro-2H-pyran-2-yl)methoxy)acetic acid |
| IUPAC Name | 2-(oxan-2-ylmethoxy)acetic acid |
| InChI | InChI=1S/C8H14O4/c9-8(10)6-11-5-7-3-1-2-4-12-7/h7H,1-6H2,(H,9,10) |
| InChI Key | DHQDMQIHHQMTMU-UHFFFAOYSA-N |
| MDL Number | MFCD07643237 |
| Molecular Formula | C8H14O4 |
| Molecular Weight | 174.1944 |
| SMILES | C(COCC1CCCCO1)(O)=O |
| Synonyms | (TETRAHYDRO-2H-PYRAN-2-YLMETHOXY)ACETIC ACID,
876716-61-9,
2-(oxan-2-ylmethoxy)acetic acid,
2-((Tetrahydro-2H-pyran-2-yl)methoxy)acetic acid,
BAS 10150369,
AC1O5H9S,
SCHEMBL3359697,
CTK5F8854,
DTXSID20424406,
HMS1704O17,
ZX-CM003664,
MFCD07643237,
AKOS000168936,
AKOS022184995,
BBV-060527,
(Tetrahydro-pyran-2-ylmethoxy)-acetic acid,
Y-3167,
4011114-25G,
(Tetrahydro-2H-pyran-2-ylmethoxy)acetic acid, AldrichCPR,
CID6484178,
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| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.196g/mol |
| Monoisotopic Mass | 174.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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