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88953-22-4

88953-22-4 | Benzene, [(1-heptylnonyl)oxy]-

CAS No: 88953-22-4 Catalog No: AG00477L MDL No:

Product Description

Catalog Number:
AG00477L
Chemical Name:
Benzene, [(1-heptylnonyl)oxy]-
CAS Number:
88953-22-4
Molecular Formula:
C22H38O
Molecular Weight:
318.5365
IUPAC Name:
hexadecan-8-yloxybenzene
InChI:
InChI=1S/C22H38O/c1-3-5-7-9-11-14-18-21(17-13-10-8-6-4-2)23-22-19-15-12-16-20-22/h12,15-16,19-21H,3-11,13-14,17-18H2,1-2H3
InChI Key:
NKGPUZYYTFTMPZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(Oc1ccccc1)CCCCCCC

Properties

Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.292g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.545g/mol
Monoisotopic Mass:
318.292g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3  

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