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100579-07-5 | Propanoic acid, 2-methoxy-2-methyl-, iodomethyl ester
CAS No: 100579-07-5 Catalog No: AG0002DW MDL No:
Product Description
Catalog Number:
AG0002DW
Chemical Name:
Propanoic acid, 2-methoxy-2-methyl-, iodomethyl ester
CAS Number:
100579-07-5
Molecular Formula:
C6H11IO3
Molecular Weight:
258.0542
IUPAC Name:
iodomethyl 2-methoxy-2-methylpropanoate
InChI:
InChI=1S/C6H11IO3/c1-6(2,9-3)5(8)10-4-7/h4H2,1-3H3
InChI Key:
OIVGOODZCJLNRM-UHFFFAOYSA-N
SMILES:
ICOC(=O)C(OC)(C)C
Properties
Complexity:
122
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:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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