Herniarin

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Properties Simple | Detailed

Formula C10H8O3
IUPAC Name 7-methoxychromen-2-one
Molecular Mass 176.169 g·mol−1
Heat of Formation -332.0 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 198.94 Å 3
Surface Area 198.43 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry Cs
Synonyms
  • 2h-1-benzopyran-2-one, 7-methoxy-
  • 7-methoxy-2-chromenone
  • 7-methoxy-2h-1-benzopyran-2-one
  • 7-methoxycoumarin
  • acon1_002037
  • ayapanin
  • coumarin, 7-methoxy-
  • coumarin, 7-methoxy- (8ci)
  • herniarin (6ci)
  • herniarine
  • megxp0_000150
  • methoxycourmarin, 7-
  • methyl umbelliferyl ether
  • methylumbelliferone
  • sdccgmls-0066524.p001
CAS Number(s)
  • 531-59-9
InChIKey LIIALPBMIOVAHH-UHFFFAOYSA-N
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