Phebalosin
CAS Registry Number®
6545-99-9
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CAS Name
PhebalosinMolecular Formula
C15H14O4Molecular Mass
258.27Cite this Page
Phebalosin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6545-99-9 (retrieved ) (CAS RN: 6545-99-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
120.5-121.5 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C15H14O4/c1-8(2)13-15(19-13)12-10(17-3)6-4-9-5-7-11(16)18-14(9)12/h4-7,13,15H,1H2,2-3H3/t13-,15-/m0/s1
InChIKey
InChIKey=YTDNHMHONBWCBV-ZFWWWQNUSA-N
SMILES
O(C)C=1C(=C2C(=CC1)C=CC(=O)O2)[C@H]3[C@H](C(C)=C)O3
Canonical SMILES
O=C1OC2=C(C=C1)C=CC(OC)=C2C3OC3C(=C)C
Other Names for this Substance
- 2H-1-Benzopyran-2-one, 7-methoxy-8-[(2R,3R)-3-(1-methylethenyl)-2-oxiranyl]-, rel-
- 2H-1-Benzopyran-2-one, 7-methoxy-8-[3-(1-methylethenyl)oxiranyl]-, trans-
- Phebalosin
- Coumarin, 8-(1,2-epoxy-3-methyl-3-butenyl)-7-methoxy-, 8-trans-
- 2H-1-Benzopyran-2-one, 7-methoxy-8-[(2R,3R)-3-(1-methylethenyl)oxiranyl]-, rel-
Deleted or Replaced CAS Registry Numbers
26116-48-3
