1-Acetoxy-4-hydroxy-2-methylnaphthalene - CAS 2211-27-0
Catalog: |
BB076910 |
Product Name: |
1-Acetoxy-4-hydroxy-2-methylnaphthalene |
CAS: |
2211-27-0 |
Synonyms: |
1,4-naphthalenediol, 2-methyl-, 1-acetate; 4-Hydroxy-2-methyl-1-naphthylacetate; 1,4-Naphthalenediol, 2-methyl-, monoacetate; NSC226252; Menadiol monoacetate; Naphthalene-1,4-diol, 1-O-acetyl-2-methyl- |
IUPAC Name: | (4-hydroxy-2-methylnaphthalen-1-yl) acetate |
Molecular Weight: | 216.23 |
Molecular Formula: | C13H12O3 |
Canonical SMILES: | CC1=C(C2=CC=CC=C2C(=C1)O)OC(=O)C |
InChI: | InChI=1S/C13H12O3/c1-8-7-12(15)10-5-3-4-6-11(10)13(8)16-9(2)14/h3-7,15H,1-2H3 |
InChI Key: | JPUZRBGFEWQQEW-UHFFFAOYSA-N |
Boiling Point: | 385.8±30.0°C (Predicted) |
Melting Point: | 124.5-125.8°C |
Purity: | ≥95% |
Density: | 1.229±0.06 g/cm3 (Predicted) |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.078644241 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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