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89296-63-9 | Hexanoic acid, 1-iodoethyl ester
CAS No: 89296-63-9 Catalog No: AG003ZVA MDL No:
Product Description
Catalog Number:
AG003ZVA
Chemical Name:
Hexanoic acid, 1-iodoethyl ester
CAS Number:
89296-63-9
Molecular Formula:
C8H15IO2
Molecular Weight:
270.1080
IUPAC Name:
1-iodoethyl hexanoate
InChI:
InChI=1S/C8H15IO2/c1-3-4-5-6-8(10)11-7(2)9/h7H,3-6H2,1-2H3
InChI Key:
ZALHFAXEZYWSBC-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)OC(I)C
Properties
Complexity:
115
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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