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116107-12-1 | [1,1'-Biphenyl]-2-carboxylic acid, 2',4'-dimethoxy-, methyl ester
CAS No: 116107-12-1 Catalog No: AG000BNL MDL No:
Product Description
Catalog Number:
AG000BNL
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 2',4'-dimethoxy-, methyl ester
CAS Number:
116107-12-1
Molecular Formula:
C16H16O4
Molecular Weight:
272.2958
IUPAC Name:
methyl 2-(2,4-dimethoxyphenyl)benzoate
InChI:
InChI=1S/C16H16O4/c1-18-11-8-9-13(15(10-11)19-2)12-6-4-5-7-14(12)16(17)20-3/h4-10H,1-3H3
InChI Key:
FPTRFRCWUREIMF-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OC)c1ccccc1C(=O)OC
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.3g/mol
Monoisotopic Mass:
272.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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