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1262004-87-4 | [1,1'-Biphenyl]-3-carboxylic acid, 5-methoxy-2'-methyl-
CAS No: 1262004-87-4 Catalog No: AG000SC5 MDL No:MFCD18318918
Product Description
Catalog Number:
AG000SC5
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 5-methoxy-2'-methyl-
CAS Number:
1262004-87-4
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
MDL Number:
MFCD18318918
IUPAC Name:
3-methoxy-5-(2-methylphenyl)benzoic acid
InChI:
InChI=1S/C15H14O3/c1-10-5-3-4-6-14(10)11-7-12(15(16)17)9-13(8-11)18-2/h3-9H,1-2H3,(H,16,17)
InChI Key:
GHZOBRISDGBAHL-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)c1ccccc1C)C(=O)O
Properties
Complexity:
290
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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