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203261-44-3 | Octanedioic acid, 1-(2-propen-1-yl) ester
CAS No: 203261-44-3 Catalog No: AG0028RR MDL No:
Product Description
Catalog Number:
AG0028RR
Chemical Name:
Octanedioic acid, 1-(2-propen-1-yl) ester
CAS Number:
203261-44-3
Molecular Formula:
C11H17O4-
Molecular Weight:
213.2503
IUPAC Name:
8-oxo-8-prop-2-enoxyoctanoate
InChI:
InChI=1S/C11H18O4/c1-2-9-15-11(14)8-6-4-3-5-7-10(12)13/h2H,1,3-9H2,(H,12,13)/p-1
InChI Key:
JVXFRHAKRQGELK-UHFFFAOYSA-M
SMILES:
C=CCOC(=O)CCCCCCC(=O)[O-]
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.113g/mol
Formal Charge:
-1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.253g/mol
Monoisotopic Mass:
213.113g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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