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4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylicacid

4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylicacid structure

CAS No:
5442-91-1
Formula:
C10H13NO4
Chemical Name:
4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylicacid
Synonyms:
3,5-Dimethyl-4-carbethoxypyrrole-2-carbocy;Ethyl 5-carboxy-2,4-dimethyl-3-pyrrolecarboxylate;3,5-Dimethyl-4-carbethoxy-pyrrole-2-carboxylic acid;4-Ethoxycarbonyl-3,5-dimethylpyrrole-2-carboxylic acid;3,5-Dimethylpyrrole-2,4-dicarboxylic acid 4-ethyl ester;4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid;3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid 4-ethyl ester;4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid(SALTDATA: FREE);4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-car

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4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylicacid Basic Attributes

Molecular Weight：

211.21

Exact Mass：

211.084457

NSC Number：

13427

DSSTox ID：

DTXSID70279620

HScode：

2933990090

Characteristics

PSA：

79.39000

XLogP3：

2.65

Density：

1.3±0.1 g/cm3

Melting Point：

202 °C (decomp)

Boiling Point：

424.6±45.0 °C at 760 mmHg

Flash Point：

210.6±28.7 °C

Refractive Index：

1.555

Safety Information

Hazard category：

IRRITANT

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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:211.21
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:211.08445790
Monoisotopic Mass:211.08445790
Topological Polar Surface Area:79.4
Heavy Atom Count:15
Complexity:266
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

CAS No.: 5442-91-1

Content: 99.00%

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Guide of 4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylicacid

Basic Attributes
Characteristics
Safety Information
Computed Properties
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4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylicacid

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