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67899-04-1 | Hexanoic acid, 6-iodo-, 1,1-dimethylethyl ester
CAS No: 67899-04-1 Catalog No: AG006I7C MDL No:
Product Description
Catalog Number:
AG006I7C
Chemical Name:
Hexanoic acid, 6-iodo-, 1,1-dimethylethyl ester
CAS Number:
67899-04-1
Molecular Formula:
C10H19IO2
Molecular Weight:
298.1611
IUPAC Name:
tert-butyl 6-iodohexanoate
InChI:
InChI=1S/C10H19IO2/c1-10(2,3)13-9(12)7-5-4-6-8-11/h4-8H2,1-3H3
InChI Key:
MNNOXJIFTSBCFQ-UHFFFAOYSA-N
SMILES:
ICCCCCC(=O)OC(C)(C)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.164g/mol
Monoisotopic Mass:
298.043g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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