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Home Other Building Blocks Butanoic acid, 2-propen-1-yl ester

Butanoic acid, 2-propen-1-yl ester

CAS No.:
2051-78-7
Catalog Number:
AG0029UT
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
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Product Description
Catalog Number:
AG0029UT
Chemical Name:
Butanoic acid, 2-propen-1-yl ester
CAS Number:
2051-78-7
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD00009395
IUPAC Name:
prop-2-enyl butanoate
InChI:
InChI=1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3
InChI Key:
RMZIOVJHUJAAEY-UHFFFAOYSA-N
SMILES:
CCCC(=O)OCC=C
EC Number:
218-129-8
UNII:
DH3T4NN0KO
NSC Number:
18600
FEMA Number:
2021
Properties
Complexity:
97.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Synthesis of allyl esters of fatty acids and their ovicidal effect on Cydia pomonella (L.). Journal of agricultural and food chemistry 20090610
Induction of histone acetylation and inhibition of growth of mouse erythroleukemia cells by S-allylmercaptocysteine. Nutrition and cancer 20020101
Development of a functional backbone cyclic mimetic of the HIV-1 Tat arginine-rich motif. The Journal of biological chemistry 20000804
Allyl compounds selectively killed human immunodeficiency virus (type 1)-infected cells. Biochemical and biophysical research communications 19930730
Properties