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3-Ethynylquinoline

3-Ethynylquinoline structure

CAS No:
78593-40-5
Formula:
C11H7N
Chemical Name:
3-Ethynylquinoline
Synonyms:
3-Ethynylquinoline;Quinoline, 3-ethynyl-

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3-Ethynylquinoline Basic Attributes

Molecular Weight：

153.18

Exact Mass：

153.057849228 g/mol

EC Number：

824-952-9

DSSTox ID：

DTXSID20365729

Characteristics

PSA：

12.9 Å²

Density：

1.13±0.1 g/cm3

Melting Point：

80.0-80.5 °C

Boiling Point：

282.4±13.0 °C(Predicted)

PKA：

3.44±0.11

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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:153.18
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:153.057849228
Monoisotopic Mass:153.057849228
Topological Polar Surface Area:12.9
Heavy Atom Count:12
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Ethynylquinoline

Basic Attributes
Characteristics
Safety Information
Computed Properties

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