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13057-19-7 | Methane, iodomethoxy- (9CI)
CAS No: 13057-19-7 Catalog No: AG000UNH MDL No:
Product Description
Catalog Number:
AG000UNH
Chemical Name:
Methane, iodomethoxy- (9CI)
CAS Number:
13057-19-7
Molecular Formula:
C2H5IO
Molecular Weight:
171.9650
IUPAC Name:
iodo(methoxy)methane
InChI:
InChI=1S/C2H5IO/c1-4-2-3/h2H2,1H3
InChI Key:
UUSXSNJAQDJKCG-UHFFFAOYSA-N
SMILES:
COCI
Properties
Complexity:
10
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.939g/mol
Formal Charge:
0
Heavy Atom Count:
4
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.965g/mol
Monoisotopic Mass:
171.939g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Characterisation and proposed origin of mass spectrometric ions observed 30 Th above the ionised molecules of per-O-methylated carbohydrates. | Rapid communications in mass spectrometry : RCM 20050101 |
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