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1025-12-3 | 2H-Cyclohepta[b]furan-3-carboxylic acid, 8-methoxy-2-oxo-, ethyl ester
CAS No: 1025-12-3 Catalog No: AG0007L3 MDL No:
Product Description
Catalog Number:
AG0007L3
Chemical Name:
2H-Cyclohepta[b]furan-3-carboxylic acid, 8-methoxy-2-oxo-, ethyl ester
CAS Number:
1025-12-3
Molecular Formula:
C13H12O5
Molecular Weight:
248.2314
IUPAC Name:
ethyl 8-methoxy-2-oxocyclohepta[b]furan-3-carboxylate
InChI:
InChI=1S/C13H12O5/c1-3-17-12(14)10-8-6-4-5-7-9(16-2)11(8)18-13(10)15/h4-7H,3H2,1-2H3
InChI Key:
DOTJTYBYSQDQSO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(=O)oc2c1ccccc2OC
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.234g/mol
Monoisotopic Mass:
248.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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