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150016-65-2 | 3-Buten-2-one, 3-iodo-4-phenyl-, (3Z)-
CAS No: 150016-65-2 Catalog No: AG001M89 MDL No:
Product Description
Catalog Number:
AG001M89
Chemical Name:
3-Buten-2-one, 3-iodo-4-phenyl-, (3Z)-
CAS Number:
150016-65-2
Molecular Formula:
C10H9IO
Molecular Weight:
272.0823
IUPAC Name:
3-iodo-4-phenylbut-3-en-2-one
InChI:
InChI=1S/C10H9IO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
RIZYGHRCPDQBNV-UHFFFAOYSA-N
SMILES:
I/C(=C\c1ccccc1)/C(=O)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.085g/mol
Monoisotopic Mass:
271.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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