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28697-96-3 | Hexanedioic acid, 1,6-bis[2-[(1-oxo-2-propen-1-yl)oxy]ethyl] ester
CAS No: 28697-96-3 Catalog No: AG002W53 MDL No:
Product Description
Catalog Number:
AG002W53
Chemical Name:
Hexanedioic acid, 1,6-bis[2-[(1-oxo-2-propen-1-yl)oxy]ethyl] ester
CAS Number:
28697-96-3
Molecular Formula:
C16H22O8
Molecular Weight:
342.3411
IUPAC Name:
bis(2-prop-2-enoyloxyethyl) hexanedioate
InChI:
InChI=1S/C16H22O8/c1-3-13(17)21-9-11-23-15(19)7-5-6-8-16(20)24-12-10-22-14(18)4-2/h3-4H,1-2,5-12H2
InChI Key:
HUDXSEPMNCZQOZ-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCCOC(=O)CCCCC(=O)OCCOC(=O)C=C
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.344g/mol
Monoisotopic Mass:
342.131g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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