1-methylpyrazole-3-carboxylic acid
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1-methylpyrazole-3-carboxylic acid
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CAS No:
25016-20-0
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Formula:
C5H6N2O2
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Chemical Name:
1-methylpyrazole-3-carboxylic acid
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Synonyms:
1-methylpyrazole-3-monocarboxylic acid; 1-Methyl-1H-pyrazole-3-carboxylic acid; 1H-Pyrazole-3-carboxylic acid,1-methyl; 1-Methylpyrazole-3-carboxylic acid; 1-Methyl-3-carboxypyrazol; n-methylpyrazole-3-carboxylic acid; 3-Carboxy-1-methyl-1H-pyrazole; 1H-Pyrazole-3-carboxylic acid, 1-methyl-;Expand
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CAS No:
Description
1-methyl-pyrazole-3-carboxylic acid is a member of the class of pyrazoles that is N-methylpyrazole substituted by a carboxy group at position 3. It has a role as a metabolite. It is a member of pyrazoles and a monocarboxylic acid. It derives from a N-methylpyrazole.
1-methylpyrazole-3-carboxylic acid Basic Attributes
126.11300
126.042927438 g/mol
DTXSID10341451
2933199090
Characteristics
55.12000
0.11830
1.34g/cm3
150-152ºC
306.9ºC at 760mmHg
139.4ºC
1.59
0.000326mmHg at 25°C
Safety Information
R22; R36/37/38
S22-S26-S36/37/39
Xn
|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 9 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:126.11
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:126.042927438
Monoisotopic Mass:126.042927438
Topological Polar Surface Area:55.1
Heavy Atom Count:9
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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