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4-METHYLINDOLE-3-CARBOXYLICACID

4-METHYLINDOLE-3-CARBOXYLICACID structure

CAS No:
858515-65-8
Formula:
C10H9NO2
Chemical Name:
4-METHYLINDOLE-3-CARBOXYLICACID
Synonyms:
4-METHYLINDOLE-3-CARBOXYLIC ACID;4-Methyl-1H-indole-3-carboxylic acid;1H-Indole-3-carboxylic acid, 4-methyl-

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4-METHYLINDOLE-3-CARBOXYLICACID Basic Attributes

Molecular Weight：

175.18

Exact Mass：

175.063328530

DSSTox ID：

DTXSID80651655

HScode：

2933990090

Characteristics

PSA：

53.09000

XLogP3：

2.17450

Density：

1.340±0.06 g/cm3

Melting Point：

189 °C(Solv: acetone (67-64-1))

Boiling Point：

419.9±25.0 °C(Predicted)

Flash Point：

207.8ºC

Refractive Index：

1.696

PKA：

3.93±0.10

Computed Properties

Molecular Weight:175.18
XLogP3:1.9
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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Guide of 4-METHYLINDOLE-3-CARBOXYLICACID

Basic Attributes
Characteristics
Computed Properties

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