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(6-Acetyl-1H-indol-3-yl)acetic acid
[CAS# 81223-95-2]

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Identification
Name (6-Acetyl-1H-indol-3-yl)acetic acid
Synonyms 1H-Indole-3-aceticacid,6-acetyl-; 2-(6-acetyl-1H-indol-3-yl)acetic acid
Molecular Structure CAS#: 81223-95-2, (6-Acetyl-1H-indol-3-yl)acetic acid
Molecular Formula C12H11NO3
Molecular Weight 217.22
CAS Registry Number 81223-95-2
SMILES CC(=O)c1ccc2c(c1)ncc2CC(O)=O
InChI 1S/C12H11NO3/c1-7(14)8-2-3-10-9(5-12(15)16)6-13-11(10)4-8/h2-4,6,13H,5H2,1H3,(H,15,16)
InChIKey YRJSPMOLNIHEPP-UHFFFAOYSA-N
Properties
Density 1.35g/cm3 (Cal.)
Boiling point 476.4°C at 760 mmHg (Cal.)
Flash point 241.918°C (Cal.)
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