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67987-33-1 | Hexanoic acid,(4-iodophenyl)methyl ester
CAS No: 67987-33-1 Catalog No: AG0061A9 MDL No:
Product Description
Catalog Number:
AG0061A9
Chemical Name:
Hexanoic acid,(4-iodophenyl)methyl ester
CAS Number:
67987-33-1
Molecular Formula:
C13H16IO2-
Molecular Weight:
331.1694
IUPAC Name:
(4-iodophenyl)methyl hexanoate
InChI:
InChI=1S/C13H17IO2/c1-2-3-4-5-13(15)16-10-11-6-8-12(14)9-7-11/h6-9H,2-5,10H2,1H3
InChI Key:
MVLIAMWUQFBYME-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)[O-])Cc1ccc(cc1)I
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.027g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.181g/mol
Monoisotopic Mass:
332.027g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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