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116544-98-0 | 2-Propenal, 2-iodo-3-phenyl-, (2Z)-
CAS No: 116544-98-0 Catalog No: AG000CQP MDL No:
Product Description
Catalog Number:
AG000CQP
Chemical Name:
2-Propenal, 2-iodo-3-phenyl-, (2Z)-
CAS Number:
116544-98-0
Molecular Formula:
C9H7IO
Molecular Weight:
258.0557
IUPAC Name:
2-iodo-3-phenylprop-2-enal
InChI:
InChI=1S/C9H7IO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H
InChI Key:
YDHHTAMDNJQDLD-UHFFFAOYSA-N
SMILES:
O=C/C(=C/c1ccccc1)/I
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.954g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.058g/mol
Monoisotopic Mass:
257.954g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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