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112391-36-3 | Benzoic acid, 5-(dodecyloxy)-2-iodosyl-
CAS No: 112391-36-3 Catalog No: AG007B9M MDL No:
Product Description
Catalog Number:
AG007B9M
Chemical Name:
Benzoic acid, 5-(dodecyloxy)-2-iodosyl-
CAS Number:
112391-36-3
Molecular Formula:
C19H29IO4
Molecular Weight:
448.3356
IUPAC Name:
5-dodecoxy-2-iodosylbenzoic acid
InChI:
InChI=1S/C19H29IO4/c1-2-3-4-5-6-7-8-9-10-11-14-24-16-12-13-18(20-23)17(15-16)19(21)22/h12-13,15H,2-11,14H2,1H3,(H,21,22)
InChI Key:
XIMRXWYGBUJMQU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc(c(c1)C(=O)O)[I]=O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
448.341g/mol
Monoisotopic Mass:
448.111g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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