1-(2-Furanylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
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1-(2-Furanylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
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CAS No:
854357-51-0
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Formula:
C12H13NO3
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Chemical Name:
1-(2-Furanylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
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Synonyms:
1H-Pyrrole-3-carboxylic acid,1-(2-furanylmethyl)-2,5-dimethyl-;1-(2-Furanylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid;1-(2-Furylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid;1-(Furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid
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CAS No:
1-(2-Furanylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid Basic Attributes
219.24
219.24
DTXSID70407103
2934999090
Safety Information
IRRITANT
36
26
Xi
|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:219.24
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:219.08954328
Monoisotopic Mass:219.08954328
Topological Polar Surface Area:55.4
Heavy Atom Count:16
Complexity:269
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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