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89296-72-0 | Hexanoic acid, 2-propyl-, 1-iodoethyl ester
CAS No: 89296-72-0 Catalog No: AG0087ED MDL No:
Product Description
Catalog Number:
AG0087ED
Chemical Name:
Hexanoic acid, 2-propyl-, 1-iodoethyl ester
CAS Number:
89296-72-0
Molecular Formula:
C11H21IO2
Molecular Weight:
312.1877
IUPAC Name:
1-iodoethyl 2-propylhexanoate
InChI:
InChI=1S/C11H21IO2/c1-4-6-8-10(7-5-2)11(13)14-9(3)12/h9-10H,4-8H2,1-3H3
InChI Key:
LRBFRWWXJIFXIV-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)OC(I)C)CCC
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.191g/mol
Monoisotopic Mass:
312.059g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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