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121458-29-5 | Butanedioic acid, pentylidene-, 1-ethyl ester, (2E)- (9CI)
CAS No: 121458-29-5 Catalog No: AG0014ZY MDL No:
Product Description
Catalog Number:
AG0014ZY
Chemical Name:
Butanedioic acid, pentylidene-, 1-ethyl ester, (2E)- (9CI)
CAS Number:
121458-29-5
Molecular Formula:
C11H17O4-
Molecular Weight:
213.2503
IUPAC Name:
3-ethoxycarbonyloct-3-enoate
InChI:
InChI=1S/C11H18O4/c1-3-5-6-7-9(8-10(12)13)11(14)15-4-2/h7H,3-6,8H2,1-2H3,(H,12,13)/p-1
InChI Key:
BKAMMGYAYQNMQI-UHFFFAOYSA-M
SMILES:
CCCC/C=C(/C(=O)OCC)\CC(=O)[O-]
Properties
Complexity:
238
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:
7
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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