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13159-24-5 | Hexanoic acid, 6-iodo-, ethyl ester
CAS No: 13159-24-5 Catalog No: AG000ZGZ MDL No:
Product Description
Catalog Number:
AG000ZGZ
Chemical Name:
Hexanoic acid, 6-iodo-, ethyl ester
CAS Number:
13159-24-5
Molecular Formula:
C8H15IO2
Molecular Weight:
270.1080
IUPAC Name:
ethyl 6-iodohexanoate
InChI:
InChI=1S/C8H15IO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3
InChI Key:
LTWOHZNXCOUWKH-UHFFFAOYSA-N
SMILES:
ICCCCCC(=O)OCC
Properties
Complexity:
104
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:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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