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886986-52-3 | Benzoic acid, 2-[(1E)-2-iodoethenyl]-, methyl ester
CAS No: 886986-52-3 Catalog No: AG0047GZ MDL No:
Product Description
Catalog Number:
AG0047GZ
Chemical Name:
Benzoic acid, 2-[(1E)-2-iodoethenyl]-, methyl ester
CAS Number:
886986-52-3
Molecular Formula:
C10H9IO2
Molecular Weight:
288.0817
IUPAC Name:
methyl 2-(2-iodoethenyl)benzoate
InChI:
InChI=1S/C10H9IO2/c1-13-10(12)9-5-3-2-4-8(9)6-7-11/h2-7H,1H3
InChI Key:
ULYJNULQEHZCSS-UHFFFAOYSA-N
SMILES:
I/C=C/c1ccccc1C(=O)OC
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.965g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.084g/mol
Monoisotopic Mass:
287.965g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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