Ethyl 4-(2-(3,4-Dihydro-4,4-Dimethyl-2H-1-Benzopyran-6-Yl)-1-Propenyl)Benzoate

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Properties Simple | Detailed

Formula C23H26O3
IUPAC Name ethyl 4-[(e)-2-(4,4-dimethylchroman-6-yl)prop-1-enyl]benzoate
Molecular Mass 350.451 g·mol−1
Heat of Formation -429.2 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 442.32 Å 3
Surface Area 391.99 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2-(3,4-dihydro-4,4-dimethyl-2h-1-benzopyran-6-yl)-1-propenyl)benzoic acid ethyl ester
  • 4-[(e)-2-(4,4-dimethyl-6-chromanyl)prop-1-enyl]benzoic acid ethyl ester
  • 4-[(e)-2-(4,4-dimethylchroman-6-yl)prop-1-enyl]benzoic acid ethyl ester
  • eddbpb
  • ethyl 4-[(e)-2-(4,4-dimethylchroman-6-yl)prop-1-enyl]benzoate
CAS Number(s)
  • 88579-28-6
InChIKey QXYCYAHDTWXJCZ-JQIJEIRASA-N
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