(8S)-8-Hydroxy-4-[(1S)-1-Hydroxyethyl]-7,8-Dihydro-2-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C12H13NO4
IUPAC Name (8s)-8-hydroxy-4-[(1s)-1-hydroxyethyl]-7,8-dihydroquinoline-2-carboxylic acid
Molecular Mass 235.236 g·mol−1
Heat of Formation -595.6 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 267.57 Å 3
Surface Area 248.14 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
Synonyms
  • (8s)-8-hydroxy-4-(1-hydroxyethyl)-7,8-dihydroquinoline-2-carboxylic acid
  • 8-hydroxy-4-(1-hydroxyethyl)quinoline-2-carboxylic acid
InChIKey FCGZNXGKWUHBKD-WKEGUHRASA-N
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