| CAS Number | 442877-01-2 |
| Catalog Number | AG00DWAF(AGN-PC-0RSHXG) |
| Chemical Name | 2-(hydroxymethyl)tetrahydrofuran-2-carboxylic acid |
| IUPAC Name | 2-(hydroxymethyl)oxolane-2-carboxylic acid |
| InChI | InChI=1S/C6H10O4/c7-4-6(5(8)9)2-1-3-10-6/h7H,1-4H2,(H,8,9) |
| InChI Key | LSKIQPLCZAULSB-UHFFFAOYSA-N |
| MDL Number | MFCD18814031 |
| Molecular Formula | C6H10O4 |
| Molecular Weight | 146.1412 |
| SMILES | OCC1(C(O)=O)OCCC1 |
| Synonyms | 442877-01-2,
2-(Hydroxymethyl)tetrahydrofuran-2-carboxylic acid,
SCHEMBL7604952,
LSKIQPLCZAULSB-UHFFFAOYSA-N,
AKOS006383575,
2-(hydroxymethyl)-tetrahydro-2-furoic acid,
2-(hydroxymethyl)oxolane-2-carboxylic acid,
2-Furancarboxylic acid,tetrahydro-2-(hydroxymethyl)-,
2-Furancarboxylicacid,tetrahydro-2-(hydroxymethyl)-(9CI),
2-Furancarboxylic acid, tetrahydro-2-(hydroxymethyl)- (9CI),
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.142g/mol |
| Monoisotopic Mass | 146.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
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Certificate of Analysis
Lot Number