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4-METHYL-1H-IMIDAZOLE-2-CARBOXYLICACID

4-METHYL-1H-IMIDAZOLE-2-CARBOXYLICACID structure

CAS No:
70631-93-5
Formula:
C5H6N2O2
Chemical Name:
4-METHYL-1H-IMIDAZOLE-2-CARBOXYLICACID
Synonyms:
4-METHYL-1H-IMIDAZOLE-2-CARBOXYLICACID;Imidazole-2-carboxylic acid, 4-methyl-;4-methyl-3H-imidazole-2-carboxylic acid;5-Methyl-1H-iMidazole-2-carboxylic acid;4-methyl-1H-imidazole-2-carboxylic acid(SALTDATA: 1.2H2O 0.08NaCl)

Description

5-methyl-imidazole-2-carboxylic acid is an imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 5 and 2 respectively. It has a role as a metabolite.

4-METHYL-1H-IMIDAZOLE-2-CARBOXYLICACID Basic Attributes

Molecular Weight：

126.11300

Exact Mass：

126.04300

DSSTox ID：

DTXSID00339640

HScode：

2933290090

Characteristics

PSA：

65.98000

XLogP3：

0.41630

Density：

1.404g/cm3

Boiling Point：

393.4ºC at 760 mmHg

Flash Point：

191.7ºC

Refractive Index：

1.595

Safety Information

safety instructions：

Marks：

Computed Properties

Molecular Weight:126.11
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:126.042927438
Monoisotopic Mass:126.042927438
Topological Polar Surface Area:66
Heavy Atom Count:9
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-METHYL-1H-IMIDAZOLE-2-CARBOXYLICACID

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

4-METHYL-1H-IMIDAZOLE-2-CARBOXYLICACID

SDS

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