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449778-80-7 | (2E)-3-[2-(4-iodophenoxy)phenyl]prop-2-enoic acid
CAS No: 449778-80-7 Catalog No: AG00IOCE MDL No:MFCD02091016
Product Description
Catalog Number:
AG00IOCE
Chemical Name:
(2E)-3-[2-(4-iodophenoxy)phenyl]prop-2-enoic acid
CAS Number:
449778-80-7
Molecular Formula:
C15H11IO3
Molecular Weight:
366.1505
MDL Number:
MFCD02091016
IUPAC Name:
3-[2-(4-iodophenoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C15H11IO3/c16-12-6-8-13(9-7-12)19-14-4-2-1-3-11(14)5-10-15(17)18/h1-10H,(H,17,18)
InChI Key:
WSUWGRWJBWUZAC-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1ccccc1Oc1ccc(cc1)I
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.975g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.154g/mol
Monoisotopic Mass:
365.975g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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