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32250-59-2 | Methyl (2E)-4-(4-Iodophenyl)-4-oxobut-2-enoate
CAS No: 32250-59-2 Catalog No: AG01FA66 MDL No:
Product Description
Catalog Number:
AG01FA66
Chemical Name:
Methyl (2E)-4-(4-Iodophenyl)-4-oxobut-2-enoate
CAS Number:
32250-59-2
Molecular Formula:
C11H9IO3
Molecular Weight:
316.0918
IUPAC Name:
methyl (E)-4-(4-iodophenyl)-4-oxobut-2-enoate
InChI:
InChI=1S/C11H9IO3/c1-15-11(14)7-6-10(13)8-2-4-9(12)5-3-8/h2-7H,1H3/b7-6+
InChI Key:
OILOMAAZLYQQID-VOTSOKGWSA-N
SMILES:
COC(=O)/C=C/C(=O)c1ccc(cc1)I
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
315.96g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.094g/mol
Monoisotopic Mass:
315.96g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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