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3,4,7-TRIMETHYL-1H-INDOLE-2-CARBOXYLICACID

3,4,7-TRIMETHYL-1H-INDOLE-2-CARBOXYLICACID structure

CAS No:
876715-79-6
Formula:
C12H13NO2
Chemical Name:
3,4,7-TRIMETHYL-1H-INDOLE-2-CARBOXYLICACID
Synonyms:
CHEMBRDG-BB 4004393;ASINEX-REAG BAS 10145052;3,4,7-TRIMETHYL-1H-INDOLE-2-CARBOXYLIC ACID;3,4,7-trimethyl-1H-indole-2-carboxylic acid(SALTDATA: FREE);1H-Indole-2-carboxylic acid, 3,4,7-trimethyl-

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3,4,7-TRIMETHYL-1H-INDOLE-2-CARBOXYLICACID Basic Attributes

Molecular Weight：

203.24

Exact Mass：

203.094628657

DSSTox ID：

DTXSID60390196

HScode：

2933990090

Characteristics

PSA：

53.09000

XLogP3：

2.79130

Density：

1.245±0.06 g/cm3

Boiling Point：

423.9±40.0 °C(Predicted)

Flash Point：

210.1ºC

Refractive Index：

1.655

PKA：

4.37±0.30

Safety Information

Hazard category：

IRRITANT

hazard class code：

Marks：

Xi,Xn

Computed Properties

Molecular Weight:203.24
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:203.094628657
Monoisotopic Mass:203.094628657
Topological Polar Surface Area:53.1
Heavy Atom Count:15
Complexity:266
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4,7-TRIMETHYL-1H-INDOLE-2-CARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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