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13025-07-5 | Butanoic acid, 3-oxo-, 4-[(1-oxo-2-propen-1-yl)oxy]butyl ester
CAS No: 13025-07-5 Catalog No: AG000U6W MDL No:
Product Description
Catalog Number:
AG000U6W
Chemical Name:
Butanoic acid, 3-oxo-, 4-[(1-oxo-2-propen-1-yl)oxy]butyl ester
CAS Number:
13025-07-5
Molecular Formula:
C11H16O5
Molecular Weight:
228.2417
IUPAC Name:
4-prop-2-enoyloxybutyl 3-oxobutanoate
InChI:
InChI=1S/C11H16O5/c1-3-10(13)15-6-4-5-7-16-11(14)8-9(2)12/h3H,1,4-8H2,2H3
InChI Key:
PICTWXAWDCLLKO-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCCCCOC(=O)CC(=O)C
EC Number:
235-885-4
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.244g/mol
Monoisotopic Mass:
228.1g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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