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883898-17-7 | ETHYL 5-(3-OXOCYCLOHEXYL)-2-FUROATE
CAS No: 883898-17-7 Catalog No: AG004LJ9 MDL No:MFCD03841030
Product Description
Catalog Number:
AG004LJ9
Chemical Name:
ETHYL 5-(3-OXOCYCLOHEXYL)-2-FUROATE
CAS Number:
883898-17-7
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
MDL Number:
MFCD03841030
IUPAC Name:
ethyl 5-(3-oxocyclohexyl)furan-2-carboxylate
InChI:
InChI=1S/C13H16O4/c1-2-16-13(15)12-7-6-11(17-12)9-4-3-5-10(14)8-9/h6-7,9H,2-5,8H2,1H3
InChI Key:
JKTUNBZVCTWKOL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(o1)C1CCCC(=O)C1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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