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921603-50-1 | 2H-Pyran-2-one, 6-(2-iodo-1-methylethenyl)-4-methoxy-3-methyl-
CAS No: 921603-50-1 Catalog No: AG00657S MDL No:
Product Description
Catalog Number:
AG00657S
Chemical Name:
2H-Pyran-2-one, 6-(2-iodo-1-methylethenyl)-4-methoxy-3-methyl-
CAS Number:
921603-50-1
Molecular Formula:
C10H11IO3
Molecular Weight:
306.0970
IUPAC Name:
6-(1-iodoprop-1-en-2-yl)-4-methoxy-3-methylpyran-2-one
InChI:
InChI=1S/C10H11IO3/c1-6(5-11)8-4-9(13-3)7(2)10(12)14-8/h4-5H,1-3H3
InChI Key:
RXMBYBCUZRESIW-UHFFFAOYSA-N
SMILES:
IC=C(c1cc(OC)c(c(=O)o1)C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.975g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.099g/mol
Monoisotopic Mass:
305.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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