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2-METHYL-1H-INDOLE-3-CARBOXYLICACID

2-METHYL-1H-INDOLE-3-CARBOXYLICACID structure

CAS No:
63176-44-3
Formula:
C10H9NO2
Chemical Name:
2-METHYL-1H-INDOLE-3-CARBOXYLICACID
Synonyms:
ASINEX-REAG BAS 10152700;2-METHYL-1H-INDOLE-3-CARBOXYLIC ACID;2-METHYLINDOLE-3-CARBOXYLIC ACID;AKOS BB-8876;TIMTEC-BB SBB010574;RARECHEM AL BE 0692;1H-indole-3-carboxylic acid, 2-methyl-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-METHYL-1H-INDOLE-3-CARBOXYLICACID Basic Attributes

Molecular Weight：

175.18

Exact Mass：

175.063328530

DSSTox ID：

DTXSID50390226

HScode：

2933990090

Characteristics

PSA：

53.09000

XLogP3：

2.17450

Density：

1.340±0.06 g/cm3

Melting Point：

174 °C (decomp)

Boiling Point：

410.0±25.0 °C(Predicted)

Flash Point：

201.8ºC

Refractive Index：

1.696

PKA：

3.91±0.10

Safety Information

Hazard category：

IRRITANT

hazard class code：

36/38

safety instructions：

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:175.18
XLogP3:2
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 2-METHYL-1H-INDOLE-3-CARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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