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2-(1H-pyrrol-3-yl)acetic acid

2-(1H-pyrrol-3-yl)acetic acid structure

CAS No:
86688-96-2
Formula:
C6H7NO2
Chemical Name:
2-(1H-pyrrol-3-yl)acetic acid
Synonyms:
2-(1H-pyrrol-3-yl)acetic acid;86688-96-2;(PYRROL-3-YL)-ACETIC ACID;1H-Pyrrole-3-acetic acid;(1H-Pyrrol-3-yl)-acetic acid;(Pyrrol-3-yl)acetic acid;(1H-Pyrrol-3-yl)acetic acid;pyrrole-3-acetic acid;SCHEMBL311759;DTXSID20328455;(PYRROL-3-YL)-ACETICACID;2-(1H-pyrrol-3-yl)ethanoic acid;ACT10465;ZINC1646567;3621AC;MFCD09800534;AKOS013061383;AS-38248;FT-0691109;X-2252;A841793;Z1741981493

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2-(1H-pyrrol-3-yl)acetic acid Basic Attributes

Molecular Weight：

125.13 g/mol

Exact Mass：

125.047678466 g/mol

DSSTox ID：

DTXSID20328455

Characteristics

PSA：

53.1 Å²

Safety Information

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, 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:125.13
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:125.047678466
Monoisotopic Mass:125.047678466
Topological Polar Surface Area:53.1
Heavy Atom Count:9
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(1H-pyrrol-3-yl)acetic acid

Basic Attributes
Characteristics
Safety Information
Computed Properties
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