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28679-13-2 | Benzene, ethoxynonyl- (9CI)
CAS No: 28679-13-2 Catalog No: AG002W1I MDL No:
Product Description
Catalog Number:
AG002W1I
Chemical Name:
Benzene, ethoxynonyl- (9CI)
CAS Number:
28679-13-2
Molecular Formula:
C17H28O
Molecular Weight:
248.4036
IUPAC Name:
1-ethoxy-3-nonylbenzene
InChI:
InChI=1S/C17H28O/c1-3-5-6-7-8-9-10-12-16-13-11-14-17(15-16)18-4-2/h11,13-15H,3-10,12H2,1-2H3
InChI Key:
NCCHJWQYRPWHRW-UHFFFAOYSA-N
SMILES:
CCOCCCCCCCCCc1ccccc1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.214g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.41g/mol
Monoisotopic Mass:
248.214g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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