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2-Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate

2-Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate structure

CAS No:
33369-46-9
Formula:
C11H15NO4
Chemical Name:
2-Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate
Synonyms:
1H-Pyrrole-2-acetic acid,3-carboxy-1,4-dimethyl-,2-ethyl ester;1H-Pyrrole-2-acetic acid,3-carboxy-1,4-dimethyl-,α-ethyl ester;Pyrrole-2-acetic acid,3-carboxy-1,4-dimethyl-,2-ethyl ester;2-Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate;Ethyl 3-carboxy-1,4-dimethylpyrrole-2-acetate;2-(2-Ethoxy-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid

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2-Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate Basic Attributes

Molecular Weight：

225.2411

Exact Mass：

225.24

EC Number：

251-477-9

DSSTox ID：

DTXSID30186987

HScode：

2933990090

Characteristics

PSA：

68.5

XLogP3：

1.13730

Density：

1.19g/cm3

Boiling Point：

360.8ºC at 760mmHg

Flash Point：

172ºC

Refractive Index：

1.53

Computed Properties

Molecular Weight:225.24
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:225.10010796
Monoisotopic Mass:225.10010796
Topological Polar Surface Area:68.5
Heavy Atom Count:16
Complexity:279
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate

Basic Attributes
Characteristics
Computed Properties
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2-Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate

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