| CAS Number | 35849-02-6 |
| Catalog Number | AG01C4A7(AGN-PC-0230V8) |
| Chemical Name | 4-(1,3-Dioxolan-2-yl)benzoic acid |
| IUPAC Name | 4-(1,3-dioxolan-2-yl)benzoic acid |
| InChI | InChI=1S/C10H10O4/c11-9(12)7-1-3-8(4-2-7)10-13-5-6-14-10/h1-4,10H,5-6H2,(H,11,12) |
| InChI Key | NTQFLFYOFQFWPM-UHFFFAOYSA-N |
| MDL Number | MFCD06208987 |
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.1840 |
| SMILES | c1cc(ccc1C2OCCO2)C(=O)O |
| Synonyms | 4-(1,3-dioxolan-2-yl)benzoic acid,
35849-02-6,
Benzoic acid, 4-(1,3-dioxolan-2-yl)-,
SCHEMBL4088776,
MFCD06208987,
ZINC43502612,
AKOS006295536,
4-(1,3-Dioxolane-2-yl)benzoic acid,
AS-44490,
|
| Complexity | 202 |
| 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