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144291-47-4 | [1,1'-Biphenyl]-2-carboxylic acid, 4'-formyl-, methyl ester
CAS No: 144291-47-4 Catalog No: AG001J8M MDL No:MFCD06801752
Product Description
Catalog Number:
AG001J8M
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 4'-formyl-, methyl ester
CAS Number:
144291-47-4
Molecular Formula:
C15H12O3
Molecular Weight:
240.2540
MDL Number:
MFCD06801752
IUPAC Name:
methyl 2-(4-formylphenyl)benzoate
InChI:
InChI=1S/C15H12O3/c1-18-15(17)14-5-3-2-4-13(14)12-8-6-11(10-16)7-9-12/h2-10H,1H3
InChI Key:
MNUSHZDUHWBMSZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1c1ccc(cc1)C=O
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.258g/mol
Monoisotopic Mass:
240.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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