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1-Methyl-1H-indole-3-carboxylicacid

1-Methyl-1H-indole-3-carboxylicacid structure

CAS No:
32387-21-6
Formula:
C10H9NO2
Chemical Name:
1-Methyl-1H-indole-3-carboxylicacid
Synonyms:
1-Methylindole-3-carboxylic acid ,97%;N-Methylindole acetate;1H-Indole-3-carboxylic acid, 1-Methyl-;Methylindole-3-carboxylic;Ramosetron Impurity 7;1-METHYL-3-INDOLECARBOXYLIC ACID;1-METHYL-1H-INDOLE-3-CARBOXYLIC ACID;1-METHYLINDOLE-3-CARBOXYLIC ACID
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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1-Methyl-1H-indole-3-carboxylicacid Basic Attributes

Molecular Weight：

175.18

Exact Mass：

175.063328530 g/mol

DSSTox ID：

DTXSID70357533

HScode：

2933990090

Characteristics

PSA：

42.23000

XLogP3：

1.87650

Density：

1.24±0.1 g/cm3

Melting Point：

197-200 °C (dec.) (lit.)

Boiling Point：

389.0±15.0 °C(Predicted)

Flash Point：

189ºC

Refractive Index：

1.612

PKA：

4.01±0.10

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:175.18
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:175.063328530
Monoisotopic Mass:175.063328530
Topological Polar Surface Area:42.2
Heavy Atom Count:13
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Methyl-1H-indole-3-carboxylicacid

Basic Attributes
Characteristics
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Computed Properties
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