| CAS Number | 75593-13-4 |
| Catalog Number | AG019X9N(AGN-PC-0U7KKA) |
| Chemical Name | 4-(1,3-dioxaindan-5-yl)butan-2-ol |
| IUPAC Name | 4-(1,3-benzodioxol-5-yl)butan-2-ol |
| InChI | InChI=1S/C11H14O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6,8,12H,2-3,7H2,1H3 |
| InChI Key | VJZXAIJPTHVTCG-UHFFFAOYSA-N |
| MDL Number | MFCD11149376 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | CC(CCC1=CC2=C(OCO2)C=C1)O |
| Synonyms | 4-(2H-1,3-benzodioxol-5-yl)butan-2-ol,
75593-13-4,
AC1Q2BVA,
SCHEMBL2485767,
CTK6A7486,
AKOS000248909,
MCULE-3985575371,
NE15001,
4-(1,3-Benzodioxol-5-yl)-2-butanol,
EN300-54428,
4-(2H-1,3-Benzodioxol-5-yl)butan-2-ol, AldrichCPR,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number