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89630-71-7 | 2-Furancarboxylic acid, 4-chlorotetrahydro-5-oxo-, methyl ester
CAS No: 89630-71-7 Catalog No: AG003WZP MDL No:
Product Description
Catalog Number:
AG003WZP
Chemical Name:
2-Furancarboxylic acid, 4-chlorotetrahydro-5-oxo-, methyl ester
CAS Number:
89630-71-7
Molecular Formula:
C6H7ClO4
Molecular Weight:
178.5704
IUPAC Name:
methyl 4-chloro-5-oxooxolane-2-carboxylate
InChI:
InChI=1S/C6H7ClO4/c1-10-6(9)4-2-3(7)5(8)11-4/h3-4H,2H2,1H3
InChI Key:
AZKZSDXLABUIKP-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(C(=O)O1)Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.003g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.568g/mol
Monoisotopic Mass:
178.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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