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137732-80-0 | 2-Propenoic acid, 2-methyl-, 2-methyl-3,5-dioxohexyl ester
CAS No: 137732-80-0 Catalog No: AG0013RS MDL No:
Product Description
Catalog Number:
AG0013RS
Chemical Name:
2-Propenoic acid, 2-methyl-, 2-methyl-3,5-dioxohexyl ester
CAS Number:
137732-80-0
Molecular Formula:
C11H16O4
Molecular Weight:
212.2423
IUPAC Name:
(2-methyl-3,5-dioxohexyl) 2-methylprop-2-enoate
InChI:
InChI=1S/C11H16O4/c1-7(2)11(14)15-6-8(3)10(13)5-9(4)12/h8H,1,5-6H2,2-4H3
InChI Key:
FWPAHRXCSIZNTH-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)C(COC(=O)C(=C)C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.245g/mol
Monoisotopic Mass:
212.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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