| CAS Number | 936727-94-5 |
| Catalog Number | AG01BJ2K |
| Chemical Name | 1-(2,3-Dihydrobenzo[B][1,4]Dioxin-6-Yl)Cyclopropane-1-Carboxylic Acid |
| IUPAC Name | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C12H12O4/c13-11(14)12(3-4-12)8-1-2-9-10(7-8)16-6-5-15-9/h1-2,7H,3-6H2,(H,13,14) |
| InChI Key | QVXPITFURMQHIV-UHFFFAOYSA-N |
| MDL Number | MFCD11104285 |
| Molecular Formula | C12H12O4 |
| Molecular Weight | 220.2213 |
| SMILES | O=C(C1(C2=CC=C(OCCO3)C3=C2)CC1)O |
| Synonyms | 936727-94-5,
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid,
1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)cyclopropanecarboxylic acid,
SCHEMBL1466203,
QVXPITFURMQHIV-UHFFFAOYSA-N,
ZINC34973929,
AKOS009320264,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.224g/mol |
| Monoisotopic Mass | 220.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number