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89296-80-0 | Pentanoic acid, 3-ethyl-, 1-iodoethyl ester
CAS No: 89296-80-0 Catalog No: AG003YNF MDL No:
Product Description
Catalog Number:
AG003YNF
Chemical Name:
Pentanoic acid, 3-ethyl-, 1-iodoethyl ester
CAS Number:
89296-80-0
Molecular Formula:
C9H17IO2
Molecular Weight:
284.1345
IUPAC Name:
1-iodoethyl 3-ethylpentanoate
InChI:
InChI=1S/C9H17IO2/c1-4-8(5-2)6-9(11)12-7(3)10/h7-8H,4-6H2,1-3H3
InChI Key:
YEAZLMYOHOXNDX-UHFFFAOYSA-N
SMILES:
CCC(CC(=O)OC(I)C)CC
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.137g/mol
Monoisotopic Mass:
284.027g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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