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147596-63-2 | Propanedioic acid, 2-cyclohexyl-, 1-ethyl ester
CAS No: 147596-63-2 Catalog No: AG001F0E MDL No:MFCD02215247
Product Description
Catalog Number:
AG001F0E
Chemical Name:
Propanedioic acid, 2-cyclohexyl-, 1-ethyl ester
CAS Number:
147596-63-2
Molecular Formula:
C11H17O4-
Molecular Weight:
213.2503
MDL Number:
MFCD02215247
IUPAC Name:
2-cyclohexyl-3-ethoxy-3-oxopropanoic acid
InChI:
InChI=1S/C11H18O4/c1-2-15-11(14)9(10(12)13)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,12,13)
InChI Key:
WSIZPDOYJBUYBA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C1CCCCC1)C(=O)[O-]
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.261g/mol
Monoisotopic Mass:
214.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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