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1-(2,6-DIMETHYLPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLICACID

1-(2,6-DIMETHYLPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLICACID structure

CAS No:
63674-48-6
Formula:
C13H15NO3
Chemical Name:
1-(2,6-DIMETHYLPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLICACID
Synonyms:
IFLAB-BB F1799-0568;1-(2,6-DIMETHYLPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID;3-pyrrolidinecarboxylic acid, 1-(2,6-dimethylphenyl)-5-oxo-;1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid(SALTDATA: FREE);1-(2,6-dimethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid;1-(2,6-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid;ASN 10320755;1-(2,6-DIMETHYLPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACIDL

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1-(2,6-DIMETHYLPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLICACID Basic Attributes

Molecular Weight：

233.26

Exact Mass：

233.10519334

DSSTox ID：

DTXSID70406252

Characteristics

Density：

1.259±0.06 g/cm3

Boiling Point：

535.2±50.0 °C(Predicted)

PKA：

4.42±0.20

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:233.26
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:233.10519334
Monoisotopic Mass:233.10519334
Topological Polar Surface Area:57.6
Heavy Atom Count:17
Complexity:319
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(2,6-DIMETHYLPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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