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125151-62-4 | Benzene, 1-ethynyl-4-(undecyloxy)-
CAS No: 125151-62-4 Catalog No: AG000N9D MDL No:
Product Description
Catalog Number:
AG000N9D
Chemical Name:
Benzene, 1-ethynyl-4-(undecyloxy)-
CAS Number:
125151-62-4
Molecular Formula:
C19H28O
Molecular Weight:
272.4250
IUPAC Name:
1-decoxy-4-ethynylbenzene
InChI:
InChI=1S/C18H26O/c1-3-5-6-7-8-9-10-11-16-19-18-14-12-17(4-2)13-15-18/h2,12-15H,3,5-11,16H2,1H3
InChI Key:
URRNONKKPITKPN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCOc1ccc(cc1)C#C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.198g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.405g/mol
Monoisotopic Mass:
258.198g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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