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89296-62-8 | Butanoic acid, 3-methyl-, 1-iodoethyl ester
CAS No: 89296-62-8 Catalog No: AG0040WE MDL No:
Product Description
Catalog Number:
AG0040WE
Chemical Name:
Butanoic acid, 3-methyl-, 1-iodoethyl ester
CAS Number:
89296-62-8
Molecular Formula:
C7H13IO2
Molecular Weight:
256.0814
IUPAC Name:
1-iodoethyl 3-methylbutanoate
InChI:
InChI=1S/C7H13IO2/c1-5(2)4-7(9)10-6(3)8/h5-6H,4H2,1-3H3
InChI Key:
BCZYDWQLGGJSRG-UHFFFAOYSA-N
SMILES:
CC(CC(=O)OC(I)C)C
Properties
Complexity:
112
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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