4-ACETYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLICACID
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4-ACETYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLICACID
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CAS No:
2386-28-9
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Formula:
C9H11NO3
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Chemical Name:
4-ACETYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLICACID
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Synonyms:
AKOSBBS-00005848;TIMTEC-BBSBB010092;IFLAB-BBF0266-4226;LABOTEST-BBLT00012632;4-ACETYL-3,5-DIMETHYL-2-PYRROLECARBOXYLICACID;4-ACETYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLICACID;4-Acetyl-3,5-dimethyl-2-pyrrolecarboxylicacid95%;4-Acetyl-3,5-diMethyl-1H-pyrrole-2-carboxylicacidMethylester
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CAS No:
4-ACETYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLICACID Basic Attributes
181.19
181.07400
10760
DTXSID10278950
2933990090
Characteristics
70.16000
1.53230
1.255g/cm3
205-207 °C(lit.)
396.7ºC at 760mmHg
193.7ºC
>27.2 [ug/mL]
5.26E-07mmHg at 25°C
Safety Information
IRRITANT
3
36/37/38
26-36
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:181.19
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:181.07389321
Monoisotopic Mass:181.07389321
Topological Polar Surface Area:70.2
Heavy Atom Count:13
Complexity:239
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
4-ACETYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLICACID
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