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86688-96-2

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86688-96-2 Structure

86688-96-2 Structure
IdentificationBack Directory
[Name]

(PYRROL-3-YL)-ACETIC ACID
[CAS]

86688-96-2
[Synonyms]

1H-Pyrrole-3-acetic acid
(PYRROL-3-YL)-ACETIC ACID
1H-Pyrrole-3-aceticacid(9CI)
(1H-Pyrrol-3-yl)-acetic acid
2-(1H-Pyrrol-3-yl)acetic acid
[Molecular Formula]

C6H7NO2
[MDL Number]

MFCD09800534
[MOL File]

86688-96-2.mol
[Molecular Weight]

125.13
Chemical PropertiesBack Directory
[Melting point ]

90-91 °C
[Boiling point ]

312.3±17.0 °C(Predicted)
[density ]

1.314±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

4.42±0.10(Predicted)
[InChI]

1S/C6H7NO2/c8-6(9)3-5-1-2-7-4-5/h1-2,4,7H,3H2,(H,8,9)
[InChIKey]

LAZKLUQBPMKCFN-UHFFFAOYSA-N
[SMILES]

OC(CC1=CNC=C1)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[WGK Germany ]

WGK 3
[HS Code ]

2933998090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

(PYRROL-3-YL)-ACETIC ACID (86688-96-2)1HNMR
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