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89779-45-3 | 1,4-Pentadiene, 1-iodo-2-(methoxymethyl)-
CAS No: 89779-45-3 Catalog No: AG00409I MDL No:
Product Description
Catalog Number:
AG00409I
Chemical Name:
1,4-Pentadiene, 1-iodo-2-(methoxymethyl)-
CAS Number:
89779-45-3
Molecular Formula:
C7H11IO
Molecular Weight:
238.0661
IUPAC Name:
1-iodo-2-(methoxymethyl)penta-1,4-diene
InChI:
InChI=1S/C7H11IO/c1-3-4-7(5-8)6-9-2/h3,5H,1,4,6H2,2H3
InChI Key:
BDQWCEDJCWTYTC-UHFFFAOYSA-N
SMILES:
COCC(=CI)CC=C
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.985g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.068g/mol
Monoisotopic Mass:
237.985g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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