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117369-94-5 | [1,1'-Biphenyl]-4-carboxylic acid, 3-hydroxy-, methyl ester
CAS No: 117369-94-5 Catalog No: AG000E68 MDL No:MFCD20231496
Product Description
Catalog Number:
AG000E68
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-hydroxy-, methyl ester
CAS Number:
117369-94-5
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
MDL Number:
MFCD20231496
IUPAC Name:
methyl 2-hydroxy-4-phenylbenzoate
InChI:
InChI=1S/C14H12O3/c1-17-14(16)12-8-7-11(9-13(12)15)10-5-3-2-4-6-10/h2-9,15H,1H3
InChI Key:
DJSGFYYLFUDUFT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1O)c1ccccc1
Properties
Complexity:
258
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:
4
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