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185399-64-8 | Pentanoic acid, 5-iodo-3-methyl-, methyl ester, (S)-
CAS No: 185399-64-8 Catalog No: AG0077EW MDL No:
Product Description
Catalog Number:
AG0077EW
Chemical Name:
Pentanoic acid, 5-iodo-3-methyl-, methyl ester, (S)-
CAS Number:
185399-64-8
Molecular Formula:
C7H13IO2
Molecular Weight:
256.0814
IUPAC Name:
methyl (3S)-5-iodo-3-methylpentanoate
InChI:
InChI=1S/C7H13IO2/c1-6(3-4-8)5-7(9)10-2/h6H,3-5H2,1-2H3/t6-/m1/s1
InChI Key:
ATTUVYMVQIXSKE-ZCFIWIBFSA-N
SMILES:
C[C@H](CCI)CC(=O)OC
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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