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methyl 4-acetyl-1,2,5-trimethylpyrrole-3-carboxylate

methyl 4-acetyl-1,2,5-trimethylpyrrole-3-carboxylate structure

CAS No:
175276-48-9
Formula:
C11H15NO3
Chemical Name:
methyl 4-acetyl-1,2,5-trimethylpyrrole-3-carboxylate
Synonyms:
methyl 4-acetyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylate; HMS565A05;

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methyl 4-acetyl-1,2,5-trimethylpyrrole-3-carboxylate Basic Attributes

Molecular Weight：

209.24200

Exact Mass：

209.10519334

DSSTox ID：

DTXSID90372445

HScode：

2933990090

Characteristics

PSA：

48.30000

XLogP3：

1.63110

Density：

1.1g/cm3

Melting Point：

83ºC

Boiling Point：

342.1ºC at 760mmHg

Flash Point：

160.7ºC

Refractive Index：

1.514

Water Solubility：

>31.4 [ug/mL]

Vapor Pressure：

7.71E-05mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:209.24
XLogP3:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:209.10519334
Monoisotopic Mass:209.10519334
Topological Polar Surface Area:48.3
Heavy Atom Count:15
Complexity:277
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl 4-acetyl-1,2,5-trimethylpyrrole-3-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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