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52009-53-7 | 2-Chloro-3,4-dimethoxybenzoic acid
CAS No: 52009-53-7 Catalog No: AG003GV1 MDL No:MFCD00084944
Product Description
Catalog Number:
AG003GV1
Chemical Name:
2-Chloro-3,4-dimethoxybenzoic acid
CAS Number:
52009-53-7
Molecular Formula:
C9H9ClO4
Molecular Weight:
216.6184
MDL Number:
MFCD00084944
IUPAC Name:
2-chloro-3,4-dimethoxybenzoic acid
InChI:
InChI=1S/C9H9ClO4/c1-13-6-4-3-5(9(11)12)7(10)8(6)14-2/h3-4H,1-2H3,(H,11,12)
InChI Key:
YSEIYOHXERRMNN-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc(c1Cl)C(=O)O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.019g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.617g/mol
Monoisotopic Mass:
216.019g/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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