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76341-70-3 | 2-chloro-4-hydroxy-3,5-dimethoxy-benzoic acid
CAS No: 76341-70-3 Catalog No: AG005630 MDL No:
Product Description
Catalog Number:
AG005630
Chemical Name:
2-chloro-4-hydroxy-3,5-dimethoxy-benzoic acid
CAS Number:
76341-70-3
Molecular Formula:
C9H9ClO5
Molecular Weight:
232.6178
IUPAC Name:
2-chloro-4-hydroxy-3,5-dimethoxybenzoic acid
InChI:
InChI=1S/C9H9ClO5/c1-14-5-3-4(9(12)13)6(10)8(15-2)7(5)11/h3,11H,1-2H3,(H,12,13)
InChI Key:
SZKVBSBSSNHHBQ-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c(c(c1O)OC)Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.014g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.616g/mol
Monoisotopic Mass:
232.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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