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1-(2-METHYL-1H-PYRROL-3-YL)-ETHANONE

1-(2-METHYL-1H-PYRROL-3-YL)-ETHANONE structure

CAS No:
6009-46-7
Formula:
C7H9NO
Chemical Name:
1-(2-METHYL-1H-PYRROL-3-YL)-ETHANONE
Synonyms:
1-(2-methyl-1H-pyrrol-3-yl)ethanone;1-(2-METHYL-1H-PYRROL-3-YL)-ETHANONE;1-(2-Methyl-1H-pyrrol-3-yl)ethan-1-one;2-methyl-3-acetyl pyrrole;SCHEMBL3657128;2-Methyl-3-acetyl-1H-pyrrole;CTK5B0977;DTXSID20462525;ZINC22003648;AKOS006329631

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1-(2-METHYL-1H-PYRROL-3-YL)-ETHANONE Basic Attributes

Molecular Weight：

123.15200

Exact Mass：

123.06800

DSSTox ID：

DTXSID20462525

HScode：

2933990090

Characteristics

PSA：

32.86000

XLogP3：

1.52570

Density：

1.307g/cm3

Melting Point：

75 °C

Boiling Point：

628.1ºC at 760 mmHg

Flash Point：

333.7ºC

Refractive Index：

1.693

Computed Properties

Molecular Weight:123.15
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:123.068413911
Monoisotopic Mass:123.068413911
Topological Polar Surface Area:32.9
Heavy Atom Count:9
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(2-METHYL-1H-PYRROL-3-YL)-ETHANONE

Basic Attributes
Characteristics
Computed Properties

1-(2-METHYL-1H-PYRROL-3-YL)-ETHANONE

SDS

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