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Home Other Building Blocks 2-METHYL-1-BUTEN-3-YNE

2-METHYL-1-BUTEN-3-YNE

CAS No.:
78-80-8
Catalog Number:
AG003HL6
Molecular Formula:
C5H6
Molecular Weight:
66.1011
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Product Description
Catalog Number:
AG003HL6
Chemical Name:
2-METHYL-1-BUTEN-3-YNE
CAS Number:
78-80-8
Molecular Formula:
C5H6
Molecular Weight:
66.1011
MDL Number:
MFCD00008599
IUPAC Name:
2-methylbut-1-en-3-yne
InChI:
InChI=1S/C5H6/c1-4-5(2)3/h1H,2H2,3H3
InChI Key:
BOFLDKIFLIFLJA-UHFFFAOYSA-N
SMILES:
CC(=C)C#C
EC Number:
201-144-9
NSC Number:
9296
UN Number:
1992
Properties
Complexity:
79.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
66.047g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
66.103g/mol
Monoisotopic Mass:
66.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Reactions of ruthenium vinylidene and acetylide complexes containing trichloromethyl groups: preparation of a cyclobutenonyl complex by solid-state photolysis. Chemistry (Weinheim an der Bergstrasse, Germany) 20090101
L-cysteine, a versatile source of sulfenic acids. Synthesis of enantiopure alliin analogues. The Journal of organic chemistry 20050318
An ab initio study of substituent effects in [1,3]-hydrogen shifts. The Journal of organic chemistry 20030404
Properties