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89296-61-7 | Pentanoic acid, 1-iodoethyl ester
CAS No: 89296-61-7 Catalog No: AG003ZVB MDL No:
Product Description
Catalog Number:
AG003ZVB
Chemical Name:
Pentanoic acid, 1-iodoethyl ester
CAS Number:
89296-61-7
Molecular Formula:
C7H13IO2
Molecular Weight:
256.0814
IUPAC Name:
1-iodoethyl pentanoate
InChI:
InChI=1S/C7H13IO2/c1-3-4-5-7(9)10-6(2)8/h6H,3-5H2,1-2H3
InChI Key:
NLSIUBAHKISWRP-UHFFFAOYSA-N
SMILES:
CCCCC(=O)OC(I)C
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.996g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.083g/mol
Monoisotopic Mass:
255.996g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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