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89838-67-5 | Carbonic acid, iodomethyl 3-methylbutyl ester
CAS No: 89838-67-5 Catalog No: AG003XOU MDL No:
Product Description
Catalog Number:
AG003XOU
Chemical Name:
Carbonic acid, iodomethyl 3-methylbutyl ester
CAS Number:
89838-67-5
Molecular Formula:
C7H13IO3
Molecular Weight:
272.0808
IUPAC Name:
iodomethyl 3-methylbutyl carbonate
InChI:
InChI=1S/C7H13IO3/c1-6(2)3-4-10-7(9)11-5-8/h6H,3-5H2,1-2H3
InChI Key:
KTHUFQWZXZXUPO-UHFFFAOYSA-N
SMILES:
ICOC(=O)OCCC(C)C
Properties
Complexity:
114
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
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