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157892-63-2 | 1-Cyclohexene-1-acetic acid, 2-iodo-
CAS No: 157892-63-2 Catalog No: AG001PSB MDL No:
Product Description
Catalog Number:
AG001PSB
Chemical Name:
1-Cyclohexene-1-acetic acid, 2-iodo-
CAS Number:
157892-63-2
Molecular Formula:
C8H11IO2
Molecular Weight:
266.0762
IUPAC Name:
2-(2-iodocyclohexen-1-yl)acetic acid
InChI:
InChI=1S/C8H11IO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-5H2,(H,10,11)
InChI Key:
LVTSXMZIHOXHHJ-UHFFFAOYSA-N
SMILES:
OC(=O)CC1=C(I)CCCC1
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.98g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.078g/mol
Monoisotopic Mass:
265.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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