| CAS Number | 1042644-86-9 |
| Catalog Number | AG01AHAE(AGN-PC-0WNLDV) |
| Chemical Name | 2-(Tetrahydro-2H-pyran-4-carboxamido)acetic acid |
| IUPAC Name | 2-(oxane-4-carbonylamino)acetic acid |
| InChI | InChI=1S/C8H13NO4/c10-7(11)5-9-8(12)6-1-3-13-4-2-6/h6H,1-5H2,(H,9,12)(H,10,11) |
| InChI Key | SPNLQHQUMYYRHB-UHFFFAOYSA-N |
| MDL Number | MFCD11169983 |
| Molecular Formula | C8H13NO4 |
| Molecular Weight | 187.1931 |
| SMILES | OC(CNC(C1CCOCC1)=O)=O |
| Synonyms | 1042644-86-9,
2-[(TETRAHYDRO-2H-PYRAN-4-YLCARBONYL)AMINO]-ACETIC ACID,
2-(oxan-4-ylformamido)acetic acid,
2-(Tetrahydro-2H-pyran-4-carboxamido)acetic acid,
(oxan-4-ylformamido)acetic acid,
CTK7G0174,
7963AC,
ZINC20250029,
2-[(oxan-4-yl)formamido]acetic acid,
AKOS009215898,
MCULE-9860018554,
NE54679,
NCGC00331131-01,
AJ-76641,
TR-066165,
EN300-74167,
AB01325463-02,
Z1171342127,
C8H13NO4,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.195g/mol |
| Monoisotopic Mass | 187.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number