4-Methyl-3,4-Dihydro-2H-1,4-Benzoxazine-7-Carboxylic Acid

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Properties Simple | Detailed

Formula C10H11NO3
IUPAC Name (4s)-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid
Molecular Mass 193.199 g·mol−1
Heat of Formation -417.5 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 220.65 Å 3
Surface Area 212.04 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
Synonyms
  • 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid
  • cc 13501
  • sdccgmls-0065976.p001
InChIKey XWYHWMDBIRZPFG-UHFFFAOYSA-N
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