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119838-61-8 | [1,1'-Biphenyl]-4-carboxylic acid, 4'-acetyl-, ethyl ester
CAS No: 119838-61-8 Catalog No: AG000PRB MDL No:MFCD06205170
Product Description
Catalog Number:
AG000PRB
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 4'-acetyl-, ethyl ester
CAS Number:
119838-61-8
Molecular Formula:
C17H16O3
Molecular Weight:
268.3071
MDL Number:
MFCD06205170
IUPAC Name:
ethyl 4-(4-acetylphenyl)benzoate
InChI:
InChI=1S/C17H16O3/c1-3-20-17(19)16-10-8-15(9-11-16)14-6-4-13(5-7-14)12(2)18/h4-11H,3H2,1-2H3
InChI Key:
JPRXSVQGASWWQE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.312g/mol
Monoisotopic Mass:
268.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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