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1H-Pyrrole-2-carboxaldehyde,5-ethynyl-3,4-dimethyl-(9CI)

1H-Pyrrole-2-carboxaldehyde,5-ethynyl-3,4-dimethyl-(9CI) structure

CAS No:
250253-82-8
Formula:
C9H9NO
Chemical Name:
1H-Pyrrole-2-carboxaldehyde,5-ethynyl-3,4-dimethyl-(9CI)
Synonyms:
1H-Pyrrole-2-carboxaldehyde, 5-ethynyl-3,4-dimethyl- (9CI);1H-Pyrrole-2-carboxaldehyde, 5-ethynyl-3,4-dimethyl-

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1H-Pyrrole-2-carboxaldehyde,5-ethynyl-3,4-dimethyl-(9CI) Basic Attributes

Molecular Weight：

147.17

Exact Mass：

147.068413911

Characteristics

PSA：

32.86000

XLogP3：

1.42530

Density：

1.10±0.1 g/cm3

Melting Point：

154-155 °C

Boiling Point：

302.1±42.0 °C(Predicted)

PKA：

14.73±0.50

Computed Properties

Molecular Weight:147.17
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:147.068413911
Monoisotopic Mass:147.068413911
Topological Polar Surface Area:32.9
Heavy Atom Count:11
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1H-Pyrrole-2-carboxaldehyde,5-ethynyl-3,4-dimethyl-(9CI)

Basic Attributes
Characteristics
Computed Properties

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