8-Allyloxy-4,9-dimethyl Psoralen - CAS 1241916-83-5
Catalog: |
BB075166 |
Product Name: |
8-Allyloxy-4,9-dimethyl Psoralen |
CAS: |
1241916-83-5 |
Synonyms: |
3,5-Dimethyl-9-(2-propen-1-yloxy)-7H-furo[3,2-g][1]benzopyran-7-one |
IUPAC Name: | 3,5-dimethyl-9-prop-2-enoxyfuro[3,2-g]chromen-7-one |
Description: | 8-Allyloxy-4,9-dimethyl Psoralen is an intermediate in the preparation of Imperatorin (I495000) derivatives. |
Molecular Weight: | 270.28 |
Molecular Formula: | C16H14O4 |
Canonical SMILES: | CC1=CC(=O)OC2=C(C3=C(C=C12)C(=CO3)C)OCC=C |
InChI: | InChI=1S/C16H14O4/c1-4-5-18-16-14-12(10(3)8-19-14)7-11-9(2)6-13(17)20-15(11)16/h4,6-8H,1,5H2,2-3H3 |
InChI Key: | YPHYAHLXEZAINX-UHFFFAOYSA-N |
Complexity: | 442 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.08920892 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 48.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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