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898790-80-2 | 4-(3-IODOPHENYL)-4-OXOBUTYRIC ACID
CAS No: 898790-80-2 Catalog No: AG006HT2 MDL No:
Product Description
Catalog Number:
AG006HT2
Chemical Name:
4-(3-IODOPHENYL)-4-OXOBUTYRIC ACID
CAS Number:
898790-80-2
Molecular Formula:
C10H9IO3
Molecular Weight:
304.0811
IUPAC Name:
4-(3-iodophenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C10H9IO3/c11-8-3-1-2-7(6-8)9(12)4-5-10(13)14/h1-3,6H,4-5H2,(H,13,14)
InChI Key:
HQTQRXTZHIHSPP-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)c1cccc(c1)I
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.96g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.083g/mol
Monoisotopic Mass:
303.96g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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