2',3'-Dihydro-7-methoxy-spiro[isobenzofuran-1(3H),1'-[1H]phenalen]-3-one - CAS 1391052-83-7
Catalog: |
BB062920 |
Product Name: |
2',3'-Dihydro-7-methoxy-spiro[isobenzofuran-1(3H),1'-[1H]phenalen]-3-one |
CAS: |
1391052-83-7 |
Synonyms: |
2',3'-Dihydro-7-methoxy-spiro[isobenzofuran-1(3H),1'-[1H]phenalen]-3-one; 7-methoxyspiro[1,2-dihydrophenalene-3,3'-2-benzofuran]-1'-one; Spiro[isobenzofuran-1(3H),1'-[1H]phenalen]-3-one, 2',3'-dihydro-6'-methoxy- |
IUPAC Name: | 7-methoxyspiro[1,2-dihydrophenalene-3,3'-2-benzofuran]-1'-one |
Description: | Intermediate in the preparation of 3-Hydroxy Benzopyrene (H829400). |
Molecular Weight: | 316.35 |
Molecular Formula: | C21H16O3 |
Canonical SMILES: | COC1=C2C=CC=C3C2=C(CCC34C5=CC=CC=C5C(=O)O4)C=C1 |
InChI: | InChI=1S/C21H16O3/c1-23-18-10-9-13-11-12-21(17-8-4-6-15(18)19(13)17)16-7-3-2-5-14(16)20(22)24-21/h2-10H,11-12H2,1H3 |
InChI Key: | OPICFBPAUCLDLZ-UHFFFAOYSA-N |
Appearance: | Off-white Solid |
Complexity: | 517 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 316.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 316.109944368 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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