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912640-25-6 | Carbonic acid, butyl iodomethyl ester
CAS No: 912640-25-6 Catalog No: AG006D89 MDL No:
Product Description
Catalog Number:
AG006D89
Chemical Name:
Carbonic acid, butyl iodomethyl ester
CAS Number:
912640-25-6
Molecular Formula:
C6H11IO3
Molecular Weight:
258.0542
IUPAC Name:
butyl iodomethyl carbonate
InChI:
InChI=1S/C6H11IO3/c1-2-3-4-9-6(8)10-5-7/h2-5H2,1H3
InChI Key:
KDURGOPKASIUOY-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)OCI
Properties
Complexity:
95
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.975g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.055g/mol
Monoisotopic Mass:
257.975g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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