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918437-99-7 | Pentanoic acid, 5-iodo-2,4-dimethyl-, methyl ester, (2S,4R)-
CAS No: 918437-99-7 Catalog No: AG006F0U MDL No:
Product Description
Catalog Number:
AG006F0U
Chemical Name:
Pentanoic acid, 5-iodo-2,4-dimethyl-, methyl ester, (2S,4R)-
CAS Number:
918437-99-7
Molecular Formula:
C8H15IO2
Molecular Weight:
270.1080
IUPAC Name:
methyl (2S,4R)-5-iodo-2,4-dimethylpentanoate
InChI:
InChI=1S/C8H15IO2/c1-6(5-9)4-7(2)8(10)11-3/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1
InChI Key:
HKTBAQCCJDBKSC-RQJHMYQMSA-N
SMILES:
C[C@H](C(=O)OC)C[C@H](CI)C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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