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113641-76-2 | (2E)-3-(4-iodophenyl)prop-2-enoic acid
CAS No: 113641-76-2 Catalog No: AG00IZXM MDL No:MFCD00046553
Product Description
Catalog Number:
AG00IZXM
Chemical Name:
(2E)-3-(4-iodophenyl)prop-2-enoic acid
CAS Number:
113641-76-2
Molecular Formula:
C9H7IO2
Molecular Weight:
274.0552
MDL Number:
MFCD00046553
IUPAC Name:
3-(4-iodophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H7IO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)
InChI Key:
NIDLJAPEZBFHGP-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1ccc(cc1)I
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.949g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.057g/mol
Monoisotopic Mass:
273.949g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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