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18777-04-3 | 2-Propenoic acid, 3-iodo-3-phenyl-, (2E)-
CAS No: 18777-04-3 Catalog No: AG002GHD MDL No:
Product Description
Catalog Number:
AG002GHD
Chemical Name:
2-Propenoic acid, 3-iodo-3-phenyl-, (2E)-
CAS Number:
18777-04-3
Molecular Formula:
C9H7IO2
Molecular Weight:
274.0552
IUPAC Name:
3-iodo-3-phenylprop-2-enoic acid
InChI:
InChI=1S/C9H7IO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-6H,(H,11,12)
InChI Key:
HWVUIOWIVXHYHZ-UHFFFAOYSA-N
SMILES:
I/C(=C/C(=O)O)/c1ccccc1
Properties
Complexity:
193
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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