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179381-42-1 | 2-Butynoic acid, 4-[(2-iodoacetyl)oxy]-, methyl ester
CAS No: 179381-42-1 Catalog No: AG0026YV MDL No:
Product Description
Catalog Number:
AG0026YV
Chemical Name:
2-Butynoic acid, 4-[(2-iodoacetyl)oxy]-, methyl ester
CAS Number:
179381-42-1
Molecular Formula:
C7H7IO4
Molecular Weight:
282.0326
IUPAC Name:
methyl 4-(2-iodoacetyl)oxybut-2-ynoate
InChI:
InChI=1S/C7H7IO4/c1-11-6(9)3-2-4-12-7(10)5-8/h4-5H2,1H3
InChI Key:
XOBAUCQASHYIRI-UHFFFAOYSA-N
SMILES:
ICC(=O)OCC#CC(=O)OC
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.939g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.033g/mol
Monoisotopic Mass:
281.939g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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