Indole-3-acrylic acid
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Indole-3-acrylic acid
structure -
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CAS No:
1204-06-4
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Formula:
C11H9NO2
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Chemical Name:
Indole-3-acrylic acid
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Synonyms:
2-Propenoic acid,3-(1H-indol-3-yl)-;Indole-3-acrylic acid;3-(1H-Indol-3-yl)-2-propenoic acid;3-Indolylacrylic acid;Indoleacrylic acid;3-β-Indoleacrylic acid;3-(3-Indolyl)acrylic acid;3-(1H-Indol-3-yl)acrylic acid;NSC 137806;NSC 29428;NSC 612862;3-(Indol-3-yl)prop-2-enoic acid
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CAS No:
Characteristics
53.1
2.26570
Solid
1.4±0.1 g/cm3
195-196 °C
432.8ºC at 760 mmHg
215.6±21.8 °C
1.750
0-6ºC
0mmHg at 25°C
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S37/39
NL3680000
Xi:Irritant;
Stable under normal temperatures and pressures.
P261-P305 + P351 + P338
H315-H319-H335
Indole-3-acrylic acid Use and Manufacturing
2-Propenoic acid, 3-(1H-indol-3-yl)-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:187.19
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:187.063328530
Monoisotopic Mass:187.063328530
Topological Polar Surface Area:53.1
Heavy Atom Count:14
Complexity:250
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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