| CAS Number | 91912-46-8 |
| Catalog Number | AG00GUTC(AGN-PC-00DPOI) |
| Chemical Name | Homocitric acid-gamma-lactone |
| IUPAC Name | 2-(carboxymethyl)-5-oxooxolane-2-carboxylic acid |
| InChI | InChI=1S/C7H8O6/c8-4(9)3-7(6(11)12)2-1-5(10)13-7/h1-3H2,(H,8,9)(H,11,12) |
| InChI Key | FMWCVXXCFOTHGM-UHFFFAOYSA-N |
| MDL Number | MFCD00057274 |
| Molecular Formula | C7H8O6 |
| Molecular Weight | 188.1348 |
| SMILES | O=C(C(CC1)(CC(O)=O)OC1=O)O |
| Synonyms | homocitrate lactone,
91912-46-8,
2-(Carboxymethyl)-5-oxotetrahydrofuran-2-carboxylic acid,
Homocitric acid-gamma-lactone,
SCHEMBL13589960,
KS-00000GE4,
FCH838702,
MFCD00057274,
AKOS006274359,
DS-9022,
AK165556,
FT-0690478,
2-Carboxy-5-oxotetrahydrofuran-2-acetic acid,
2-Furanacetic acid,2-carboxytetrahydro-5-oxo-,
C-44319,
Homocitrate lactone,
HOMOCITRICACID-GAMMA-LACTONE,
C7-H8-O6,
carboxy 2-(5-oxooxolan-2-yl)acetate,
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| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.135g/mol |
| Monoisotopic Mass | 188.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number