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1261889-23-9 | [1,1'-Biphenyl]-3-carboxylic acid, 5-methoxy-4'-methyl-
CAS No: 1261889-23-9 Catalog No: AG000S33 MDL No:MFCD18318963
Product Description
Catalog Number:
AG000S33
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 5-methoxy-4'-methyl-
CAS Number:
1261889-23-9
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
MDL Number:
MFCD18318963
IUPAC Name:
3-methoxy-5-(4-methylphenyl)benzoic acid
InChI:
InChI=1S/C15H14O3/c1-10-3-5-11(6-4-10)12-7-13(15(16)17)9-14(8-12)18-2/h3-9H,1-2H3,(H,16,17)
InChI Key:
DBBCPSYRQOBTOC-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)C(=O)O)c1ccc(cc1)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.274g/mol
Monoisotopic Mass:
242.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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