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6737-11-7,MFCD00026202
Catalog No.:AA003J2S
6737-11-7 | 3-Buten-2-yl acetate
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003J2S
Chemical Name:
3-Buten-2-yl acetate
CAS Number:
6737-11-7
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD00026202
IUPAC Name:
but-3-en-2-yl acetate
InChI:
InChI=1S/C6H10O2/c1-4-5(2)8-6(3)7/h4-5H,1H2,2-3H3
InChI Key:
LYWCPTCPTWCZSZ-UHFFFAOYSA-N
SMILES:
CC(C=C)OC(=O)C
Properties
Computed Properties
 
Complexity:
96.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
3-Buten-2-yl Acetate 
1-Methylallyl acetate 
AC1L3DND 
3-Buten-2-ol, acetate 
3-Buten-2-ol, 2-acetate 
ACMC-2097k2 
SCHEMBL1420718 
Ethyl Tetrahydrofuran-4-acetate 
CTK5C6096 
ANW-14064 
MFCD00026202 
AKOS015966906 
6737-11-7 
MCULE-9221300039 
TC-102809 
B0128 
InChI=1/C6H10O2/c1-4-5(2)8-6(3)7/h4-5H,1H2,2-3H 
ACETICACID3-BUTEN-2-YLESTER 
CID138821 
but-3-en-2-yl acetate 
Acetic Acid 3-Buten-2-yl Ester 
1-Methyl-2-propenyl acetate 
Acetic acid 1-buten-3-yl ester 
LYWCPTCPTWCZSZ-UHFFFAOYSA-N 
2-acetoxy-3-butene 
3-Acetoxy-1-butene 
Literature

Title: Direct generation of acyclic polypropionate stereopolyads via double diastereo- and enantioselective iridium-catalyzed crotylation of 1,3-diols: beyond stepwise carbonyl addition in polyketide construction.

Journal: Journal of the American Chemical Society 20110817

Title: Inter- and intramolecular palladium-catalyzed allyl cross-coupling reactions using allylindium generated in situ from allyl acetates, indium, and indium trichloride.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20070101

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