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823789-48-6 | Benzoic acid, 2-hydroxy-3-iodo-4-methoxy-6-methyl-, methyl ester
CAS No: 823789-48-6 Catalog No: AG004YAT MDL No:
Product Description
Catalog Number:
AG004YAT
Chemical Name:
Benzoic acid, 2-hydroxy-3-iodo-4-methoxy-6-methyl-, methyl ester
CAS Number:
823789-48-6
Molecular Formula:
C10H11IO4
Molecular Weight:
322.0964
IUPAC Name:
methyl 2-hydroxy-3-iodo-4-methoxy-6-methylbenzoate
InChI:
InChI=1S/C10H11IO4/c1-5-4-6(14-2)8(11)9(12)7(5)10(13)15-3/h4,12H,1-3H3
InChI Key:
BBHHKNFCMAAZAS-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cc(c(c1O)I)OC
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.97g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.098g/mol
Monoisotopic Mass:
321.97g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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