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89099-59-2 | 2H-Cyclohepta[b]furan-3-carboxylic acid, 5-chloro-2-oxo-, methyl ester
CAS No: 89099-59-2 Catalog No: AG003ZYE MDL No:
Product Description
Catalog Number:
AG003ZYE
Chemical Name:
2H-Cyclohepta[b]furan-3-carboxylic acid, 5-chloro-2-oxo-, methyl ester
CAS Number:
89099-59-2
Molecular Formula:
C11H7ClO4
Molecular Weight:
238.6239
IUPAC Name:
methyl 5-chloro-2-oxocyclohepta[b]furan-3-carboxylate
InChI:
InChI=1S/C11H7ClO4/c1-15-10(13)9-7-5-6(12)3-2-4-8(7)16-11(9)14/h2-5H,1H3
InChI Key:
AUQMNSQNFCDENF-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(=O)oc2c1cc(Cl)ccc2
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.003g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.623g/mol
Monoisotopic Mass:
238.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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