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123691-74-7 | Propane, 1-ethoxy-3-iodo-
CAS No: 123691-74-7 Catalog No: AG000KYB MDL No:
Product Description
Catalog Number:
AG000KYB
Chemical Name:
Propane, 1-ethoxy-3-iodo-
CAS Number:
123691-74-7
Molecular Formula:
C5H11IO
Molecular Weight:
214.0447
IUPAC Name:
1-ethoxy-3-iodopropane
InChI:
InChI=1S/C5H11IO/c1-2-7-5-3-4-6/h2-5H2,1H3
InChI Key:
TYODDTFWIMEWAD-UHFFFAOYSA-N
SMILES:
ICCCOCC
Properties
Complexity:
31.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.985g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.046g/mol
Monoisotopic Mass:
213.985g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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