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127761-05-1 | Benzoic acid, 4-hydroxy-3-iodo-5,6-dimethoxy-2-methyl-, methyl ester
CAS No: 127761-05-1 Catalog No: AG000XDG MDL No:
Product Description
Catalog Number:
AG000XDG
Chemical Name:
Benzoic acid, 4-hydroxy-3-iodo-5,6-dimethoxy-2-methyl-, methyl ester
CAS Number:
127761-05-1
Molecular Formula:
C11H13IO5
Molecular Weight:
352.1224
IUPAC Name:
methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate
InChI:
InChI=1S/C11H13IO5/c1-5-6(11(14)17-4)9(15-2)10(16-3)8(13)7(5)12/h13H,1-4H3
InChI Key:
DDAKTXCYCCRJKJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)c(I)c(c(c1OC)OC)O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.981g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.124g/mol
Monoisotopic Mass:
351.981g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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