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823789-50-0 | Benzoic acid, 3-iodo-2,4-dimethoxy-6-methyl-, methyl ester
CAS No: 823789-50-0 Catalog No: AG0053F2 MDL No:
Product Description
Catalog Number:
AG0053F2
Chemical Name:
Benzoic acid, 3-iodo-2,4-dimethoxy-6-methyl-, methyl ester
CAS Number:
823789-50-0
Molecular Formula:
C11H13IO4
Molecular Weight:
336.1230
IUPAC Name:
methyl 3-iodo-2,4-dimethoxy-6-methylbenzoate
InChI:
InChI=1S/C11H13IO4/c1-6-5-7(14-2)9(12)10(15-3)8(6)11(13)16-4/h5H,1-4H3
InChI Key:
ZUHGXUIXPBCPST-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cc(c(c1OC)I)OC
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.986g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.125g/mol
Monoisotopic Mass:
335.986g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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