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823789-51-1 | Benzoic acid, 2,4-dihydroxy-3-iodo-6-methyl-, methyl ester
CAS No: 823789-51-1 Catalog No: AG005D6U MDL No:
Product Description
Catalog Number:
AG005D6U
Chemical Name:
Benzoic acid, 2,4-dihydroxy-3-iodo-6-methyl-, methyl ester
CAS Number:
823789-51-1
Molecular Formula:
C9H9IO4
Molecular Weight:
308.0698
IUPAC Name:
methyl 2,4-dihydroxy-3-iodo-6-methylbenzoate
InChI:
InChI=1S/C9H9IO4/c1-4-3-5(11)7(10)8(12)6(4)9(13)14-2/h3,11-12H,1-2H3
InChI Key:
UKAKRKLOIZRXEC-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cc(c(c1O)I)O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.955g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.071g/mol
Monoisotopic Mass:
307.955g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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