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69787-81-1 | Propanoic acid,2-methyl-, 2-[1,1'-biphenyl]-4-yl-2-oxoethyl ester
CAS No: 69787-81-1 Catalog No: AG005HZX MDL No:
Product Description
Catalog Number:
AG005HZX
Chemical Name:
Propanoic acid,2-methyl-, 2-[1,1'-biphenyl]-4-yl-2-oxoethyl ester
CAS Number:
69787-81-1
Molecular Formula:
C18H18O3
Molecular Weight:
282.3337
IUPAC Name:
[2-oxo-2-(4-phenylphenyl)ethyl] 2-methylpropanoate
InChI:
InChI=1S/C18H18O3/c1-13(2)18(20)21-12-17(19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChI Key:
RSVQLPPONUWMGZ-UHFFFAOYSA-N
SMILES:
CC(C(=O)OCC(=O)c1ccc(cc1)c1ccccc1)C
NSC Number:
115846
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.339g/mol
Monoisotopic Mass:
282.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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