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898790-77-7 | 8-(2-IODOPHENYL)-8-OXOOCTANOIC ACID
CAS No: 898790-77-7 Catalog No: AG00GYUP MDL No:
Product Description
Catalog Number:
AG00GYUP
Chemical Name:
8-(2-IODOPHENYL)-8-OXOOCTANOIC ACID
CAS Number:
898790-77-7
Molecular Formula:
C14H17IO3
Molecular Weight:
360.1875
IUPAC Name:
8-(2-iodophenyl)-8-oxooctanoic acid
InChI:
InChI=1S/C14H17IO3/c15-12-8-6-5-7-11(12)13(16)9-3-1-2-4-10-14(17)18/h5-8H,1-4,9-10H2,(H,17,18)
InChI Key:
LSHDCMSLUHNBHF-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCC(=O)c1ccccc1I
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.022g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.191g/mol
Monoisotopic Mass:
360.022g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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