2-(1,3-Dioxolan-2-yl)phenol - CAS 6988-19-8
Catalog: |
BB066713 |
Product Name: |
2-(1,3-Dioxolan-2-yl)phenol |
CAS: |
6988-19-8 |
Synonyms: |
2-(2-Hydroxyphenyl)-1,3-dioxolane; 2-(2-Hydroxyphenyl)dioxolane; NSC 114539; o-(1,3-Dioxolan-2-yl)phenol |
IUPAC Name: | 2-(1,3-dioxolan-2-yl)phenol |
Description: | 2-(1,3-Dioxolan-2-yl)phenol is an intermediate in synthesizing Dioxacarb (D485300), which is used as pesticide. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | C1COC(O1)C2=CC=CC=C2O |
InChI: | InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4,9-10H,5-6H2 |
InChI Key: | YRQDSVXQHYMZIE-UHFFFAOYSA-N |
References: | Stevens, P., et al. Pestic. Sci., 19, 265 (1987); Hill, A., et al. Food Addit. Contam., 19, 733 (2002); Yang, X., et al. Environ. Poll., 148, 555 (2007). |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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