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116967-27-2 | Hexanoic acid, 3,5-dioxo-, 2-propen-1-yl ester
CAS No: 116967-27-2 Catalog No: AG000DFV MDL No:
Product Description
Catalog Number:
AG000DFV
Chemical Name:
Hexanoic acid, 3,5-dioxo-, 2-propen-1-yl ester
CAS Number:
116967-27-2
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
IUPAC Name:
prop-2-enyl 3,5-dioxohexanoate
InChI:
InChI=1S/C9H12O4/c1-3-4-13-9(12)6-8(11)5-7(2)10/h3H,1,4-6H2,2H3
InChI Key:
UDSBWBQYMUBSPA-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)CC(=O)CC(=O)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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