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858673-95-7 | Benzonitrile, 4-(phenylmethoxy)-3-[4-(phenylmethoxy)butoxy]-
CAS No: 858673-95-7 Catalog No: AG004R44 MDL No:
Product Description
Catalog Number:
AG004R44
Chemical Name:
Benzonitrile, 4-(phenylmethoxy)-3-[4-(phenylmethoxy)butoxy]-
CAS Number:
858673-95-7
Molecular Formula:
C25H25NO3
Molecular Weight:
387.4709
IUPAC Name:
4-phenylmethoxy-3-(4-phenylmethoxybutoxy)benzonitrile
InChI:
InChI=1S/C25H25NO3/c26-18-23-13-14-24(29-20-22-11-5-2-6-12-22)25(17-23)28-16-8-7-15-27-19-21-9-3-1-4-10-21/h1-6,9-14,17H,7-8,15-16,19-20H2
InChI Key:
FFIJXWYGJICFRT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)OCCCCOCc1ccccc1)OCc1ccccc1
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.183g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.479g/mol
Monoisotopic Mass:
387.183g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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