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19778-85-9 | 2-Propenoic acid, 1,1'-[2-methyl-2-[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester
CAS No: 19778-85-9 Catalog No: AG002B0S MDL No:
Product Description
Catalog Number:
AG002B0S
Chemical Name:
2-Propenoic acid, 1,1'-[2-methyl-2-[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester
CAS Number:
19778-85-9
Molecular Formula:
C14H24O9
Molecular Weight:
336.3350
IUPAC Name:
[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
InChI:
InChI=1S/C14H18O6/c1-5-11(15)18-8-14(4,9-19-12(16)6-2)10-20-13(17)7-3/h5-7H,1-3,8-10H2,4H3
InChI Key:
HSZUHSXXAOWGQY-UHFFFAOYSA-N
SMILES:
OCC(CO)(CO)C.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O
EC Number:
243-294-8
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.292g/mol
Monoisotopic Mass:
282.11g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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