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114828-90-9 | Phenol, 4-[(1E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-
CAS No: 114828-90-9 Catalog No: AG000FAS MDL No:
Product Description
Catalog Number:
AG000FAS
Chemical Name:
Phenol, 4-[(1E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-
CAS Number:
114828-90-9
Molecular Formula:
C25H27NO2
Molecular Weight:
373.4874
IUPAC Name:
4-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
InChI:
InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24+
InChI Key:
MHJBZVSGOZTKRH-OCOZRVBESA-N
SMILES:
CNCCOc1ccc(cc1)/C(=C(/c1ccccc1)\CC)/c1ccc(cc1)O
UNII:
HB2U71MNOT
NSC Number:
750182
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
373.204g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
373.496g/mol
Monoisotopic Mass:
373.204g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
Literature
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