3-METHYL-1H-INDOLE-2-CARBOXYLICACID
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3-METHYL-1H-INDOLE-2-CARBOXYLICACID
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CAS No:
10590-73-5
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Formula:
C10H9NO2
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Chemical Name:
3-METHYL-1H-INDOLE-2-CARBOXYLICACID
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Synonyms:
3-METHYL-1H-INDOLE-2-CARBOXYLIC ACID;ASINEX-REAG BAS 10155972;1H-Indole-2-carboxylicacid,3-methyl-(9CI);3-methyl-1H-indole-2-carboxylic acid(SALTDATA: FREE);3-Methyl-1H-indol-2-carboxylic acid;1H-Indole-2-carboxylicacid, 3-Methyl-
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CAS No:
Description
3-methyl-2-indolic acid is an indolecarboxylic acid that is indole-2-carboxylic acid in which the hydrogen at position 3 is replaced by a methyl group. It has a role as a bacterial metabolite. It is a conjugate acid of a 3-methyl-2-indolate.
Characteristics
53.09000
2.17450
1.340±0.06 g/cm3
164 °C(Solv: acetic acid (64-19-7))
409.9±25.0 °C(Predicted)
201.7ºC
1.696
1.87E-07mmHg at 25°C
4.19±0.30
Computed Properties
Molecular Weight:175.18
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:175.063328530
Monoisotopic Mass:175.063328530
Topological Polar Surface Area:53.1
Heavy Atom Count:13
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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