1-BENZYL-2,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLIC ACID METHYL ESTER
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1-BENZYL-2,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLIC ACID METHYL ESTER
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CAS No:
101046-34-8
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Formula:
C13H15NO2
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Chemical Name:
1-BENZYL-2,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLIC ACID METHYL ESTER
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Synonyms:
1-BENZYL-2,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLIC ACID METHYL ESTER;methyl 1-benzyl-2,5-dihydro-1H-pyrrole-3-carboxylate;Methyl 1-Benzyl-2,5-dihydropyrrole-3-carboxylate;2,5-Dihydro-1-(phenylmethyl)-1H-pyrrole-3-carboxylic acid methyl ester
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CAS No:
1-BENZYL-2,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLIC ACID METHYL ESTER Basic Attributes
217.26
217.110275
DTXSID60363946
2933990090
Characteristics
29.5
2.42
1.161±0.06 g/cm3(Predicted)
116-117℃ (2 Torr)
115.1±15.4 °C
1.574
0.000715mmHg at 25°C
Computed Properties
Molecular Weight:217.26
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:217.110278721
Monoisotopic Mass:217.110278721
Topological Polar Surface Area:29.5
Heavy Atom Count:16
Complexity:280
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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