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728919-16-2 | 2',4'-Dimethoxy-[1,1'-biphenyl]-3-carboxylic acid
CAS No: 728919-16-2 Catalog No: AG005O0V MDL No:MFCD04117424
Product Description
Catalog Number:
AG005O0V
Chemical Name:
2',4'-Dimethoxy-[1,1'-biphenyl]-3-carboxylic acid
CAS Number:
728919-16-2
Molecular Formula:
C15H14O4
Molecular Weight:
258.2693
MDL Number:
MFCD04117424
IUPAC Name:
3-(2,4-dimethoxyphenyl)benzoic acid
InChI:
InChI=1S/C15H14O4/c1-18-12-6-7-13(14(9-12)19-2)10-4-3-5-11(8-10)15(16)17/h3-9H,1-2H3,(H,16,17)
InChI Key:
QZFMGHVOUAXVGA-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OC)c1cccc(c1)C(=O)O
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.273g/mol
Monoisotopic Mass:
258.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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