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126582-18-1 | Benzeneacetic acid, α-[[4-(phenylmethoxy)phenyl]methylene]-, (E)- (9CI)
CAS No: 126582-18-1 Catalog No: AG000SYR MDL No:MFCD03001274
Product Description
Catalog Number:
AG000SYR
Chemical Name:
Benzeneacetic acid, α-[[4-(phenylmethoxy)phenyl]methylene]-, (E)- (9CI)
CAS Number:
126582-18-1
Molecular Formula:
C22H18O3
Molecular Weight:
330.3765
MDL Number:
MFCD03001274
IUPAC Name:
(E)-2-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C22H18O3/c23-22(24)21(19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)25-16-18-7-3-1-4-8-18/h1-15H,16H2,(H,23,24)/b21-15+
InChI Key:
GHIXOMKXVXTZOO-RCCKNPSSSA-N
SMILES:
OC(=O)/C(=C/c1ccc(cc1)OCc1ccccc1)/c1ccccc1
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
330.126g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.383g/mol
Monoisotopic Mass:
330.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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