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113452-76-9 | Benzoic acid, 2-hydroxy-3-iodo-6-methoxy-
CAS No: 113452-76-9 Catalog No: AG0008NL MDL No:
Product Description
Catalog Number:
AG0008NL
Chemical Name:
Benzoic acid, 2-hydroxy-3-iodo-6-methoxy-
CAS Number:
113452-76-9
Molecular Formula:
C8H7IO4
Molecular Weight:
294.0433
IUPAC Name:
2-hydroxy-3-iodo-6-methoxybenzoic acid
InChI:
InChI=1S/C8H7IO4/c1-13-5-3-2-4(9)7(10)6(5)8(11)12/h2-3,10H,1H3,(H,11,12)
InChI Key:
UUGVZEULOVJPQD-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1C(=O)O)O)I
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.939g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.044g/mol
Monoisotopic Mass:
293.939g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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