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650612-97-8 | Phosphonic acid, [(1E)-1-iodo-1-heptenyl]-, diethyl ester
CAS No: 650612-97-8 Catalog No: AG00H5W8 MDL No:
Product Description
Catalog Number:
AG00H5W8
Chemical Name:
Phosphonic acid, [(1E)-1-iodo-1-heptenyl]-, diethyl ester
CAS Number:
650612-97-8
Molecular Formula:
C11H22IO3P
Molecular Weight:
360.1688
IUPAC Name:
1-diethoxyphosphoryl-1-iodohept-1-ene
InChI:
InChI=1S/C11H22IO3P/c1-4-7-8-9-10-11(12)16(13,14-5-2)15-6-3/h10H,4-9H2,1-3H3
InChI Key:
HRQFNQGDUACOEU-UHFFFAOYSA-N
SMILES:
CCCCC/C=C(\P(=O)(OCC)OCC)/I
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.172g/mol
Monoisotopic Mass:
360.035g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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