Home Other Building Blocks 3-METHYL-1-BUTYNE

3-METHYL-1-BUTYNE

CAS No.:
598-23-2
Catalog Number:
AG00E9XA
Molecular Formula:
C5H8
Molecular Weight:
68.1170
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Product Description
Catalog Number:
AG00E9XA
Chemical Name:
3-METHYL-1-BUTYNE
CAS Number:
598-23-2
Molecular Formula:
C5H8
Molecular Weight:
68.1170
MDL Number:
MFCD00039853
IUPAC Name:
3-methylbut-1-yne
InChI:
InChI=1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3
InChI Key:
USCSRAJGJYMJFZ-UHFFFAOYSA-N
SMILES:
CC(C#C)C
EC Number:
209-925-6
Properties
Complexity:
51.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
68.063g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
68.119g/mol
Monoisotopic Mass:
68.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis, biological activity, and evaluation of the mode of action of novel antitubercular benzofurobenzopyrans substituted on A ring. European journal of medicinal chemistry 20101201
Properties