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258841-45-1 | Carbonic acid, 1-ethylpropyl iodomethyl ester
CAS No: 258841-45-1 Catalog No: AG006VF0 MDL No:
Product Description
Catalog Number:
AG006VF0
Chemical Name:
Carbonic acid, 1-ethylpropyl iodomethyl ester
CAS Number:
258841-45-1
Molecular Formula:
C7H13IO3
Molecular Weight:
272.0808
IUPAC Name:
iodomethyl pentan-3-yl carbonate
InChI:
InChI=1S/C7H13IO3/c1-3-6(4-2)11-7(9)10-5-8/h6H,3-5H2,1-2H3
InChI Key:
ROHRSOBPCQSLED-UHFFFAOYSA-N
SMILES:
ICOC(=O)OC(CC)CC
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.991g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.082g/mol
Monoisotopic Mass:
271.991g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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