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111373-32-1 | Benzenepropanal, 2-iodo-
CAS No: 111373-32-1 Catalog No: AG007T58 MDL No:
Product Description
Catalog Number:
AG007T58
Chemical Name:
Benzenepropanal, 2-iodo-
CAS Number:
111373-32-1
Molecular Formula:
C9H9IO
Molecular Weight:
260.0716
IUPAC Name:
3-(2-iodophenyl)propanal
InChI:
InChI=1S/C9H9IO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6-7H,3,5H2
InChI Key:
OUTNNQAXOVKJAH-UHFFFAOYSA-N
SMILES:
O=CCCc1ccccc1I
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.97g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.074g/mol
Monoisotopic Mass:
259.97g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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