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18110-71-9 | [1,1'-Biphenyl]-2-carboxylic acid, 4'-methoxy-
CAS No: 18110-71-9 Catalog No: AG0022O9 MDL No:MFCD03426469
Product Description
Catalog Number:
AG0022O9
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 4'-methoxy-
CAS Number:
18110-71-9
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
MDL Number:
MFCD03426469
IUPAC Name:
2-(4-methoxyphenyl)benzoic acid
InChI:
InChI=1S/C14H12O3/c1-17-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14(15)16/h2-9H,1H3,(H,15,16)
InChI Key:
IPLPMLYQQDEHHD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1ccccc1C(=O)O
NSC Number:
105633
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.247g/mol
Monoisotopic Mass:
228.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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