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161518-66-7 | Pentanoic acid, 2-iodo-4-methyl-, ethyl ester
CAS No: 161518-66-7 Catalog No: AG001VO0 MDL No:
Product Description
Catalog Number:
AG001VO0
Chemical Name:
Pentanoic acid, 2-iodo-4-methyl-, ethyl ester
CAS Number:
161518-66-7
Molecular Formula:
C8H15IO2
Molecular Weight:
270.1080
IUPAC Name:
ethyl 2-iodo-4-methylpentanoate
InChI:
InChI=1S/C8H15IO2/c1-4-11-8(10)7(9)5-6(2)3/h6-7H,4-5H2,1-3H3
InChI Key:
VLDDKMRFFJQNTH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CC(C)C)I
Properties
Complexity:
123
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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