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114091-64-4 | 2-Propenoic acid, 2-methyl-, [1,1':3',1''-terphenyl]-2'-yl ester (9CI)
CAS No: 114091-64-4 Catalog No: AG000AJS MDL No:
Product Description
Catalog Number:
AG000AJS
Chemical Name:
2-Propenoic acid, 2-methyl-, [1,1':3',1''-terphenyl]-2'-yl ester (9CI)
CAS Number:
114091-64-4
Molecular Formula:
C22H18O2
Molecular Weight:
314.3771
IUPAC Name:
(2,6-diphenylphenyl) 2-methylprop-2-enoate
InChI:
InChI=1S/C22H18O2/c1-16(2)22(23)24-21-19(17-10-5-3-6-11-17)14-9-15-20(21)18-12-7-4-8-13-18/h3-15H,1H2,2H3
InChI Key:
BNZWDZHQFMGJNU-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)Oc1c(cccc1c1ccccc1)c1ccccc1
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.384g/mol
Monoisotopic Mass:
314.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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