| Formula |
C24H19F3O4 |
| IUPAC Name |
2-[(3s,4r)-3-benzyl-4-hydroxy-chroman-7-yl]-4-(trifluoromethyl)benzoic acid |
| Molecular Mass |
428.400 g·mol−1 |
| Heat of Formation |
-1123.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.38 ± 1.08 D |
| Volume |
475.8 Å 3 |
| Surface Area |
405.6 Å 2 |
| HOMO Energy |
-9.12 ± 0.55 eV |
| LUMO Energy |
-1.53 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[(3s,4r)-3-(benzyl)-4-hydroxy-chroman-7-yl]-4-(trifluoromethyl)benzoic acid
- 2-[(3s,4r)-4-hydroxy-3-(phenylmethyl)-7-chromanyl]-4-(trifluoromethyl)benzoic acid
- 2-[(3s,4r)-4-hydroxy-3-(phenylmethyl)chroman-7-yl]-4-(trifluoromethyl)benzoic acid
|
| InChIKey |
NZQDWKCNBOELAI-KSFYIVLOSA-N |
| QR Code |
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| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
F
|
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