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149991-89-9 | Butanoic acid, 3-oxo-, 3-[(2-methyl-1-oxo-2-propen-1-yl)oxy]propyl ester
CAS No: 149991-89-9 Catalog No: AG001M75 MDL No:
Product Description
Catalog Number:
AG001M75
Chemical Name:
Butanoic acid, 3-oxo-, 3-[(2-methyl-1-oxo-2-propen-1-yl)oxy]propyl ester
CAS Number:
149991-89-9
Molecular Formula:
C11H16O5
Molecular Weight:
228.2417
IUPAC Name:
3-(2-methylprop-2-enoyloxy)propyl 3-oxobutanoate
InChI:
InChI=1S/C11H16O5/c1-8(2)11(14)16-6-4-5-15-10(13)7-9(3)12/h1,4-7H2,2-3H3
InChI Key:
FHPDNLOSEWLERE-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)OCCCOC(=O)C(=C)C
Properties
Complexity:
293
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:
9
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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