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124481-00-1 | Benzoic acid, 2-iodo-3,5-dimethoxy-
CAS No: 124481-00-1 Catalog No: AG000M2R MDL No:
Product Description
Catalog Number:
AG000M2R
Chemical Name:
Benzoic acid, 2-iodo-3,5-dimethoxy-
CAS Number:
124481-00-1
Molecular Formula:
C9H9IO4
Molecular Weight:
308.0698
IUPAC Name:
2-iodo-3,5-dimethoxybenzoic acid
InChI:
InChI=1S/C9H9IO4/c1-13-5-3-6(9(11)12)8(10)7(4-5)14-2/h3-4H,1-2H3,(H,11,12)
InChI Key:
GLVLBYODNJXNFR-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c(c1)C(=O)O)I
Properties
Complexity:
209
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:
1
Isotope Atom Count:
0
Molecular Weight:
308.071g/mol
Monoisotopic Mass:
307.955g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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