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125301-43-1 | 2-Propenoic acid, ar'-(1-methylethyl)[1,1'-biphenyl]-4-yl ester (9CI)
CAS No: 125301-43-1 Catalog No: AG000NGX MDL No:
Product Description
Catalog Number:
AG000NGX
Chemical Name:
2-Propenoic acid, ar'-(1-methylethyl)[1,1'-biphenyl]-4-yl ester (9CI)
CAS Number:
125301-43-1
Molecular Formula:
C18H18O2
Molecular Weight:
266.3343
IUPAC Name:
[4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate
InChI:
InChI=1S/C18H18O2/c1-4-17(19)20-16-12-10-15(11-13-16)18(2,3)14-8-6-5-7-9-14/h4-13H,1H2,2-3H3
InChI Key:
LXSJHLYEDBJAGK-UHFFFAOYSA-N
SMILES:
C=CC(=O)Oc1ccc(cc1)C(c1ccccc1)(C)C
EC Number:
259-167-5
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.34g/mol
Monoisotopic Mass:
266.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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