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921603-46-5 | 2H-Pyran-2-one, 6-[(1E)-2-iodoethenyl]-4-methoxy-3-methyl-
CAS No: 921603-46-5 Catalog No: AG00657T MDL No:
Product Description
Catalog Number:
AG00657T
Chemical Name:
2H-Pyran-2-one, 6-[(1E)-2-iodoethenyl]-4-methoxy-3-methyl-
CAS Number:
921603-46-5
Molecular Formula:
C9H9IO3
Molecular Weight:
292.0704
IUPAC Name:
6-(2-iodoethenyl)-4-methoxy-3-methylpyran-2-one
InChI:
InChI=1S/C9H9IO3/c1-6-8(12-2)5-7(3-4-10)13-9(6)11/h3-5H,1-2H3
InChI Key:
MPIHZGWOBIZEJT-UHFFFAOYSA-N
SMILES:
I/C=C/c1cc(OC)c(c(=O)o1)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.96g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.072g/mol
Monoisotopic Mass:
291.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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