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Home > Encyclopedia > 1H-Pyrazole-3-carboxylic acid, 5-acetyl-, methyl ester

1H-Pyrazole-3-carboxylic acid, 5-acetyl-, methyl ester

1H-Pyrazole-3-carboxylic acid, 5-acetyl-, methyl ester structure

1H-Pyrazole-3-carboxylic acid, 5-acetyl-, methyl ester 

structure
  • CAS No:

    684236-66-6

  • Formula:

    C7H8N2O3

  • Chemical Name:

    1H-Pyrazole-3-carboxylic acid, 5-acetyl-, methyl ester

  • Synonyms:

    1H-Pyrazole-3-carboxylic acid,5-acetyl-,methyl ester;Methyl 5-acetyl-1H-pyrazole-3-carboxylate

1H-Pyrazole-3-carboxylic acid, 5-acetyl-, methyl ester Basic Attributes

168.15000

168.15

807-401-7

DTXSID90587971

Characteristics

72.05000

0.39890

1.289g/cm3

379ºC

183ºC

1.534

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:168.15
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:168.05349212
Monoisotopic Mass:168.05349212
Topological Polar Surface Area:72
Heavy Atom Count:12
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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