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80658-48-6 | Decanoic acid,10-iodo-, ethyl ester
CAS No: 80658-48-6 Catalog No: AG00524O MDL No:
Product Description
Catalog Number:
AG00524O
Chemical Name:
Decanoic acid,10-iodo-, ethyl ester
CAS Number:
80658-48-6
Molecular Formula:
C12H23IO2
Molecular Weight:
326.2143
IUPAC Name:
ethyl 10-iododecanoate
InChI:
InChI=1S/C12H23IO2/c1-2-15-12(14)10-8-6-4-3-5-7-9-11-13/h2-11H2,1H3
InChI Key:
BUPZFVLJNSOVIN-UHFFFAOYSA-N
SMILES:
ICCCCCCCCCC(=O)OCC
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.218g/mol
Monoisotopic Mass:
326.074g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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