Pyrrole-3-carboxylic acid
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Pyrrole-3-carboxylic acid
structure -
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CAS No:
931-03-3
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Formula:
C5H5NO2
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Chemical Name:
Pyrrole-3-carboxylic acid
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Synonyms:
1H-Pyrrole-3-carboxylic acid;Pyrrole-3-carboxylic acid;3-Carboxypyrrole
- Categories:
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CAS No:
Description
white to light yellow crystal powde
Pyrrole-3-carboxylic acid is a pyrrolecarboxylic acid that is 1H-pyrrole substituted by a carboxy group at position 3. It has been isolated from Penicillium chrysogenum. It has a role as a metabolite and a Penicillium metabolite.
Characteristics
53.1
0.2
white to light yellow crystal powder
1.4±0.1 g/cm3
161 °C
340.3ºCat760mmHg
159.6±20.4 °C
1.604
Soluble in water.
Safety Information
3
22-36
26
Xn
P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501
H302
|Warning|H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:111.10
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:111.032028402
Monoisotopic Mass:111.032028402
Topological Polar Surface Area:53.1
Heavy Atom Count:8
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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