Home Other Building Blocks TRANS-2-BUTENYL ACETATE

TRANS-2-BUTENYL ACETATE

CAS No.:
628-08-0
Catalog Number:
AG003UW2
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003UW2
Chemical Name:
TRANS-2-BUTENYL ACETATE
CAS Number:
628-08-0
MDL Number:
MFCD00039912
IUPAC Name:
[(E)-but-2-enyl] acetate
InChI:
InChI=1S/C6H10O2/c1-3-4-5-8-6(2)7/h3-4H,5H2,1-2H3/b4-3+
InChI Key:
WNHXJHGRIHUOTG-ONEGZZNKSA-N
EC Number:
230-573-4
Properties
Complexity:
94.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Catalyst selection based on intermediate stability measured by mass spectrometry. Nature chemistry 20100501
Properties