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80547-64-4 | Benzoic acid, 3-hydroxy-5-iodo-4-methoxy-
CAS No: 80547-64-4 Catalog No: AG005KMJ MDL No:
Product Description
Catalog Number:
AG005KMJ
Chemical Name:
Benzoic acid, 3-hydroxy-5-iodo-4-methoxy-
CAS Number:
80547-64-4
Molecular Formula:
C8H7IO4
Molecular Weight:
294.0433
IUPAC Name:
3-hydroxy-5-iodo-4-methoxybenzoic acid
InChI:
InChI=1S/C8H7IO4/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,10H,1H3,(H,11,12)
InChI Key:
YXNCCNCDWFYWFO-UHFFFAOYSA-N
SMILES:
COc1c(O)cc(cc1I)C(=O)O
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:
1.7
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