Home Other Building Blocks Benzoic acid, 4-benzoyl-, methyl ester

Benzoic acid, 4-benzoyl-, methyl ester

CAS No.:
6158-54-9
Catalog Number:
AG003AFM
Molecular Formula:
C15H12O3
Molecular Weight:
240.2540
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Product Description
Catalog Number:
AG003AFM
Chemical Name:
Benzoic acid, 4-benzoyl-, methyl ester
CAS Number:
6158-54-9
Molecular Formula:
C15H12O3
Molecular Weight:
240.2540
MDL Number:
MFCD00197207
IUPAC Name:
methyl 4-benzoylbenzoate
InChI:
InChI=1S/C15H12O3/c1-18-15(17)13-9-7-12(8-10-13)14(16)11-5-3-2-4-6-11/h2-10H,1H3
InChI Key:
UPXFXAMIFNGJLD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C(=O)c1ccccc1
NSC Number:
409445
Properties
Complexity:
297  
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  
Properties