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3-[3-(2-cyanoethynyl)phenyl]prop-2-ynenitrile

3-[3-(2-cyanoethynyl)phenyl]prop-2-ynenitrile structure

CAS No:
60521-70-2
Formula:
C12H4N2
Chemical Name:
3-[3-(2-cyanoethynyl)phenyl]prop-2-ynenitrile
Synonyms:
3-[3-(2-cyanoethynyl)phenyl]prop-2-ynenitrile;60521-70-2;NSC281931;SCHEMBL16346512;DTXSID50314301;ZINC1564254;NSC-281931

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3-[3-(2-cyanoethynyl)phenyl]prop-2-ynenitrile Basic Attributes

Molecular Weight：

176.17 g/mol

Exact Mass：

176.037448136 g/mol

NSC Number：

281931

DSSTox ID：

DTXSID50314301

Characteristics

PSA：

47.6 Å²

Computed Properties

Molecular Weight:176.17
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:176.037448136
Monoisotopic Mass:176.037448136
Topological Polar Surface Area:47.6
Heavy Atom Count:14
Complexity:386
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[3-(2-cyanoethynyl)phenyl]prop-2-ynenitrile

Basic Attributes
Characteristics
Computed Properties

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