Phebalosin

CAS Registry Number®

6545-99-9

CAS Name

Phebalosin

Molecular Formula

C15H14O4

Molecular Mass

258.27

Cite this Page

Phebalosin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6545-99-9 (retrieved 2024-11-22) (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-

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Deleted or Replaced CAS Registry Numbers

26116-48-3

CAS INSIGHTSTM
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