4-Acetyl-1H-pyrrole-2-carboxylic acid
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4-Acetyl-1H-pyrrole-2-carboxylic acid
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CAS No:
16168-93-7
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Formula:
C7H7NO3
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Chemical Name:
4-Acetyl-1H-pyrrole-2-carboxylic acid
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Synonyms:
4-acetyl-1H-pyrrole-2-carboxylic Acid;SCHEMBL8284047;CTK0I2272;DTXSID90377571;4-acetylpyrrole-2-carboxylic acid;KS-00001R6E;ZINC3883239;8181AA;ANW-55463;CL2818
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CAS No:
Characteristics
70.2
0.91550
1.369±0.06 g/cm3(Predicted)
229-232°C
420.1±30.0 °C(Predicted)
207.9ºC
8.26E-08mmHg at 25°C
Safety Information
IRRITANT
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:153.14
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:153.042593085
Monoisotopic Mass:153.042593085
Topological Polar Surface Area:70.2
Heavy Atom Count:11
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Acetyl-1H-pyrrole-2-carboxylic acid
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