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3H-Indol-3-ylacetic acid
[CAS# 81326-17-2]

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Identification
Name 3H-Indol-3-ylacetic acid
Synonyms 2-(3H-indol-3-yl)acetic acid; 3H-Indole-3-aceticacid
Molecular Structure CAS#: 81326-17-2, 3H-Indol-3-ylacetic acid
Molecular Formula C10H9NO2
Molecular Weight 175.18
CAS Registry Number 81326-17-2
SMILES OC(=O)CC2/C=N\c1ccccc12
InChI 1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6-7H,5H2,(H,12,13)
InChIKey UHWJKAXFMGPTNB-UHFFFAOYSA-N
Properties
Density 1.29g/cm3 (Cal.)
Boiling point 376.456°C at 760 mmHg (Cal.)
Flash point 181.475°C (Cal.)
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