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102672-57-1 | Carbonic acid, cyclohexyl 1-iodoethyl ester
CAS No: 102672-57-1 Catalog No: AG000832 MDL No:
Product Description
Catalog Number:
AG000832
Chemical Name:
Carbonic acid, cyclohexyl 1-iodoethyl ester
CAS Number:
102672-57-1
Molecular Formula:
C9H15IO3
Molecular Weight:
298.1181
IUPAC Name:
cyclohexyl 1-iodoethyl carbonate
InChI:
InChI=1S/C9H15IO3/c1-7(10)12-9(11)13-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChI Key:
WRBLBPRJIBIRBP-UHFFFAOYSA-N
SMILES:
CC(OC(=O)OC1CCCCC1)I
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.007g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.12g/mol
Monoisotopic Mass:
298.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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