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898790-89-1 | 7-(3-IODOPHENYL)-7-OXOHEPTANOIC ACID
CAS No: 898790-89-1 Catalog No: AG00GYVW MDL No:
Product Description
Catalog Number:
AG00GYVW
Chemical Name:
7-(3-IODOPHENYL)-7-OXOHEPTANOIC ACID
CAS Number:
898790-89-1
Molecular Formula:
C13H15IO3
Molecular Weight:
346.1609
IUPAC Name:
7-(3-iodophenyl)-7-oxoheptanoic acid
InChI:
InChI=1S/C13H15IO3/c14-11-6-4-5-10(9-11)12(15)7-2-1-3-8-13(16)17/h4-6,9H,1-3,7-8H2,(H,16,17)
InChI Key:
QNSRZYMQZSPGKJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCC(=O)c1cccc(c1)I
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.007g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.164g/mol
Monoisotopic Mass:
346.007g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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