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96044-28-9 | Undecanoic acid, 11-iodo-, 1,1-dimethylethyl ester
CAS No: 96044-28-9 Catalog No: AG0068YY MDL No:
Product Description
Catalog Number:
AG0068YY
Chemical Name:
Undecanoic acid, 11-iodo-, 1,1-dimethylethyl ester
CAS Number:
96044-28-9
Molecular Formula:
C15H29IO2
Molecular Weight:
368.2940
IUPAC Name:
tert-butyl 11-iodoundecanoate
InChI:
InChI=1S/C15H29IO2/c1-15(2,3)18-14(17)12-10-8-6-4-5-7-9-11-13-16/h4-13H2,1-3H3
InChI Key:
ZMRVNBCQAGHPHU-UHFFFAOYSA-N
SMILES:
ICCCCCCCCCCC(=O)OC(C)(C)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.299g/mol
Monoisotopic Mass:
368.121g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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