| CAS Number | 1675205-18-1 |
| Catalog Number | AG01DLLL |
| Chemical Name | Benzenemethanol, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl- |
| IUPAC Name | [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methanol |
| InChI | InChI=1S/C16H16O3/c1-11-13(10-17)3-2-4-14(11)12-5-6-15-16(9-12)19-8-7-18-15/h2-6,9,17H,7-8,10H2,1H3 |
| InChI Key | ABMPKFGOKPZWFW-UHFFFAOYSA-N |
| MDL Number | MFCD31649234 |
| Molecular Formula | C16H16O3 |
| Molecular Weight | 256.2964 |
| SMILES | Cc1c(c2cc3c(cc2)OCCO3)cccc1CO |
| Synonyms | (3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-methylphenyl)methanol,
1675205-18-1,
SCHEMBL16554994,
ABMPKFGOKPZWFW-UHFFFAOYSA-N,
MFCD31649234,
CS-0080116,
3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylbenzenemethanol,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.301g/mol |
| Monoisotopic Mass | 256.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number