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139021-49-1 | 2-Propenoic acid, 3-(2-iodophenyl)-, methyl ester, (Z)- (9CI)
CAS No: 139021-49-1 Catalog No: AG001A0G MDL No:
Product Description
Catalog Number:
AG001A0G
Chemical Name:
2-Propenoic acid, 3-(2-iodophenyl)-, methyl ester, (Z)- (9CI)
CAS Number:
139021-49-1
Molecular Formula:
C10H9IO2
Molecular Weight:
288.0817
IUPAC Name:
methyl 3-(2-iodophenyl)prop-2-enoate
InChI:
InChI=1S/C10H9IO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-7H,1H3
InChI Key:
GCPXXBCXMLKHAU-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C\c1ccccc1I
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:
2.9
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