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89296-69-5 | Heptanoic acid, 1-iodoethyl ester
CAS No: 89296-69-5 Catalog No: AG0087EE MDL No:
Product Description
Catalog Number:
AG0087EE
Chemical Name:
Heptanoic acid, 1-iodoethyl ester
CAS Number:
89296-69-5
Molecular Formula:
C9H17IO2
Molecular Weight:
284.1345
IUPAC Name:
1-iodoethyl heptanoate
InChI:
InChI=1S/C9H17IO2/c1-3-4-5-6-7-9(11)12-8(2)10/h8H,3-7H2,1-2H3
InChI Key:
FGFUQBRPSWWPCQ-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)OC(I)C
Properties
Complexity:
126
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:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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