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methyl 1-acetylpyrrole-3-carboxylate

methyl 1-acetylpyrrole-3-carboxylate structure

CAS No:
126481-00-3
Formula:
C8H9NO3
Chemical Name:
methyl 1-acetylpyrrole-3-carboxylate
Synonyms:
acetyl-1 carbomethoxy-3 pyrrole; 1-Acetyl-3-(methoxycarbonyl)-1H-pyrrole; Methyl 1-acetyl-1H-pyrrole-3-carboxylate; 1-Acetyl-1H-pyrrole-3-carboxylic acid methyl ester;

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methyl 1-acetylpyrrole-3-carboxylate Basic Attributes

Molecular Weight：

167.16200

Exact Mass：

167.058243149

DSSTox ID：

DTXSID50575995

Characteristics

PSA：

48.30000

XLogP3：

0.93480

Density：

1.17g/cm3

Melting Point：

91-97ºC

Boiling Point：

271.485ºC

Flash Point：

117.99ºC

Safety Information

hazard class code：

R37/38

safety instructions：

S26

Marks：

Precautionary statement(s)：

P261; P280; P305 + P351 + P338

Hazard Statements：

H315; H318; H335

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:167.16
XLogP3:0.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:167.058243149
Monoisotopic Mass:167.058243149
Topological Polar Surface Area:48.3
Heavy Atom Count:12
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl 1-acetylpyrrole-3-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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