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1215205-86-9 | [1,1'-Biphenyl]-3-carboxylic acid, 3',5'-dimethoxy-
CAS No: 1215205-86-9 Catalog No: AG001559 MDL No:MFCD15143527
Product Description
Catalog Number:
AG001559
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3',5'-dimethoxy-
CAS Number:
1215205-86-9
Molecular Formula:
C15H14O4
Molecular Weight:
258.2693
MDL Number:
MFCD15143527
IUPAC Name:
3-(3,5-dimethoxyphenyl)benzoic acid
InChI:
InChI=1S/C15H14O4/c1-18-13-7-12(8-14(9-13)19-2)10-4-3-5-11(6-10)15(16)17/h3-9H,1-2H3,(H,16,17)
InChI Key:
VENATDFNKYVSGI-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)c1cccc(c1)C(=O)O
Properties
Complexity:
293
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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