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168618-45-9 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-methoxy-
CAS No: 168618-45-9 Catalog No: AG001Y71 MDL No:MFCD03424598
Product Description
Catalog Number:
AG001Y71
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-methoxy-
CAS Number:
168618-45-9
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
MDL Number:
MFCD03424598
IUPAC Name:
3-(3-methoxyphenyl)benzoic acid
InChI:
InChI=1S/C14H12O3/c1-17-13-7-3-5-11(9-13)10-4-2-6-12(8-10)14(15)16/h2-9H,1H3,(H,15,16)
InChI Key:
JFPVSZXZHHOWMI-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1cccc(c1)C(=O)O
Properties
Complexity:
264
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:
3
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