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80844-06-0 | 4-(1,1-Dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzonitrile
CAS No: 80844-06-0 Catalog No: AG00516Q MDL No:
Product Description
Catalog Number:
AG00516Q
Chemical Name:
4-(1,1-Dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)benzonitrile
CAS Number:
80844-06-0
Molecular Formula:
C24H23NO2
Molecular Weight:
357.4449
IUPAC Name:
4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzonitrile
InChI:
InChI=1S/C24H23NO2/c1-24(2,21-13-11-19(16-25)12-14-21)18-26-17-20-7-6-10-23(15-20)27-22-8-4-3-5-9-22/h3-15H,17-18H2,1-2H3
InChI Key:
WODQPKKWLAAOLQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.173g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.453g/mol
Monoisotopic Mass:
357.173g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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