3,5-Dimethyl-1H-pyrazole-1-acetic acid
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3,5-Dimethyl-1H-pyrazole-1-acetic acid
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CAS No:
16034-49-4
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Formula:
C7H10N2O2
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Chemical Name:
3,5-Dimethyl-1H-pyrazole-1-acetic acid
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Synonyms:
1H-Pyrazole-1-acetic acid,3,5-dimethyl-;Pyrazole-1-acetic acid,3,5-dimethyl-;3,5-Dimethyl-1H-pyrazole-1-acetic acid;3,5-Dimethyl-1-pyrazolylacetic acid;(3,5-Dimethyl-1H-pyrazol-1-yl)acetic acid;2-(3,5-Dimethylpyrazol-1-yl)acetic acid;2-(3,5-Dimethyl-1H-pyrazol-1-yl)acetic acid
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CAS No:
Characteristics
55.12000
0.58450
1.23±0.1 g/cm3
182 °C @ Solvent: Ethanol
120-127 °C @ Press: 14 Torr
139.3ºC
0.000329mmHg at 25°C
2.57±0.10
Safety Information
IRRITANT
3
22
Xi,Xn
H302
|Warning|H302 (97.62%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 42 companies from 5 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:154.17
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:154.074227566
Monoisotopic Mass:154.074227566
Topological Polar Surface Area:55.1
Heavy Atom Count:11
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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