Home Other Building Blocks Benzoic acid, 2-(4-ethylbenzoyl)-

Benzoic acid, 2-(4-ethylbenzoyl)-

CAS No.:
1151-14-0
Catalog Number:
AG000FWK
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
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Product Description
Catalog Number:
AG000FWK
Chemical Name:
Benzoic acid, 2-(4-ethylbenzoyl)-
CAS Number:
1151-14-0
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
MDL Number:
MFCD00020288
IUPAC Name:
2-(4-ethylbenzoyl)benzoic acid
InChI:
InChI=1S/C16H14O3/c1-2-11-7-9-12(10-8-11)15(17)13-5-3-4-6-14(13)16(18)19/h3-10H,2H2,1H3,(H,18,19)
InChI Key:
JZFDKGFWNSQAHU-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C(=O)c1ccccc1C(=O)O
EC Number:
214-566-3
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties