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162372-78-3

162372-78-3 | 1-Propyne, 1-isocyano- (9CI)

CAS No: 162372-78-3 Catalog No: AG001T1O MDL No:

Product Description

Catalog Number:
AG001T1O
Chemical Name:
1-Propyne, 1-isocyano- (9CI)
CAS Number:
162372-78-3
Molecular Formula:
C4H3N
Molecular Weight:
65.0733
IUPAC Name:
1-isocyanoprop-1-yne
InChI:
InChI=1S/C4H3N/c1-3-4-5-2/h1H3
InChI Key:
QRJFDECOKMVIKS-UHFFFAOYSA-N
SMILES:
[C-]#[N+]C#CC

Properties

Complexity:
112  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
65.027g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
65.075g/mol
Monoisotopic Mass:
65.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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