Home Other Building Blocks 3-Penten-1-yne, (3E)- (9CI)

3-Penten-1-yne, (3E)- (9CI)

CAS No.:
2004-69-5
Catalog Number:
AG002CQR
Molecular Formula:
C5H6
Molecular Weight:
66.1011
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Product Description
Catalog Number:
AG002CQR
Chemical Name:
3-Penten-1-yne, (3E)- (9CI)
CAS Number:
2004-69-5
Molecular Formula:
C5H6
Molecular Weight:
66.1011
IUPAC Name:
(E)-pent-3-en-1-yne
InChI:
InChI=1S/C5H6/c1-3-5-4-2/h1,4-5H,2H3/b5-4+
InChI Key:
XAJOPMVSQIBJCW-SNAWJCMRSA-N
SMILES:
C/C=C/C#C
Properties
Complexity:
69.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
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:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Spectroscopic identification of the resonance-stabilized cis- and trans-1-vinylpropargyl radicals. Journal of the American Chemical Society 20090923
Properties