| CAS Number | 7228-40-2 |
| Catalog Number | AG01C1VR(AGN-PC-0U0CVT) |
| Chemical Name | 1-(1,3-dioxaindan-4-yl)ethan-1-ol |
| IUPAC Name | 1-(1,3-benzodioxol-4-yl)ethanol |
| InChI | InChI=1S/C9H10O3/c1-6(10)7-3-2-4-8-9(7)12-5-11-8/h2-4,6,10H,5H2,1H3 |
| InChI Key | DGOCRYHPEUOUCO-UHFFFAOYSA-N |
| MDL Number | MFCD14155850 |
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.1739 |
| SMILES | CC(C1=C2C(OCO2)=CC=C1)O |
| Synonyms | 7228-40-2,
1-(1,3-Dioxaindan-4-yl)ethan-1-ol,
1-(benzo[d][1,3]dioxol-4-yl)ethanol,
1-(2H-1,3-benzodioxol-4-yl)ethan-1-ol,
1-benzo[1,3]dioxol-4-ylethanol,
SCHEMBL4473207,
DGOCRYHPEUOUCO-UHFFFAOYSA-N,
CID10103506,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.062994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.17g/mol |
| Monoisotopic Mass | 166.062994g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.7Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number