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13781-42-5

13781-42-5 | 2-Furancarboxylic acid, 5-iodo-, ethyl ester

CAS No: 13781-42-5 Catalog No: AG0013VP MDL No:MFCD06204455

Product Description

Catalog Number:
AG0013VP
Chemical Name:
2-Furancarboxylic acid, 5-iodo-, ethyl ester
CAS Number:
13781-42-5
Molecular Formula:
C7H7IO3
Molecular Weight:
266.0331
MDL Number:
MFCD06204455
IUPAC Name:
ethyl 5-iodofuran-2-carboxylate
InChI:
InChI=1S/C7H7IO3/c1-2-10-7(9)5-3-4-6(8)11-5/h3-4H,2H2,1H3
InChI Key:
XCJUPFDIIVVJEP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(o1)I

Properties

Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.944g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.034g/mol
Monoisotopic Mass:
265.944g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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