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36678-08-7

36678-08-7 | 4-Methoxy-1-butyne

CAS No: 36678-08-7 Catalog No: AG0037XS MDL No:

Product Description

Catalog Number:
AG0037XS
Chemical Name:
4-Methoxy-1-butyne
CAS Number:
36678-08-7
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
IUPAC Name:
4-methoxybut-1-yne
InChI:
InChI=1S/C5H8O/c1-3-4-5-6-2/h1H,4-5H2,2H3
InChI Key:
RCYIWFITYHZCIW-UHFFFAOYSA-N
SMILES:
COCCC#C

Properties

Complexity:
57.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.058g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
84.118g/mol
Monoisotopic Mass:
84.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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