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898767-52-7 | 5-(2-IODOPHENYL)-5-OXOVALERIC ACID
CAS No: 898767-52-7 Catalog No: AG006MQ0 MDL No:
Product Description
Catalog Number:
AG006MQ0
Chemical Name:
5-(2-IODOPHENYL)-5-OXOVALERIC ACID
CAS Number:
898767-52-7
Molecular Formula:
C11H11IO3
Molecular Weight:
318.1077
IUPAC Name:
5-(2-iodophenyl)-5-oxopentanoic acid
InChI:
InChI=1S/C11H11IO3/c12-9-5-2-1-4-8(9)10(13)6-3-7-11(14)15/h1-2,4-5H,3,6-7H2,(H,14,15)
InChI Key:
SOXUCLXJBYUZNH-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(=O)c1ccccc1I
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.975g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.11g/mol
Monoisotopic Mass:
317.975g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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