| CAS Number | 773101-97-6 |
| Catalog Number | AG01A2QA(AGN-PC-01LUHF) |
| Chemical Name | 3-(1,3-Dioxolan-2-yl)benzoic acid |
| IUPAC Name | 3-(1,3-dioxolan-2-yl)benzoic acid |
| InChI | InChI=1S/C10H10O4/c11-9(12)7-2-1-3-8(6-7)10-13-4-5-14-10/h1-3,6,10H,4-5H2,(H,11,12) |
| InChI Key | CKOQSKSHQSFICH-UHFFFAOYSA-N |
| MDL Number | MFCD06209118 |
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.1840 |
| SMILES | OC(C1=CC(C2OCCO2)=CC=C1)=O |
| Synonyms | 3-(1,3-dioxolan-2-yl)benzoic acid,
773101-97-6,
Benzoic acid, 3-(1,3-dioxolan-2-yl)-,
SCHEMBL2282510,
CKOQSKSHQSFICH-UHFFFAOYSA-N,
ZINC44227990,
AKOS006294273,
3-([1,3]dioxolan-2-yl)benzoic acid,
MCULE-3443097095,
NE41441,
Z1518844581,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.186g/mol |
| Monoisotopic Mass | 194.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number