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89296-67-3 | Pentanoic acid, 3-methyl-, 1-iodoethyl ester
CAS No: 89296-67-3 Catalog No: AG0040WD MDL No:
Product Description
Catalog Number:
AG0040WD
Chemical Name:
Pentanoic acid, 3-methyl-, 1-iodoethyl ester
CAS Number:
89296-67-3
Molecular Formula:
C8H15IO2
Molecular Weight:
270.1080
IUPAC Name:
1-iodoethyl 3-methylpentanoate
InChI:
InChI=1S/C8H15IO2/c1-4-6(2)5-8(10)11-7(3)9/h6-7H,4-5H2,1-3H3
InChI Key:
KRYNADXNOFXJCK-UHFFFAOYSA-N
SMILES:
CCC(CC(=O)OC(I)C)C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.012g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.11g/mol
Monoisotopic Mass:
270.012g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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