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126708-45-0 | Benzene, 1-decyl-4-ethynyl-
CAS No: 126708-45-0 Catalog No: AG000T4F MDL No:
Product Description
Catalog Number:
AG000T4F
Chemical Name:
Benzene, 1-decyl-4-ethynyl-
CAS Number:
126708-45-0
Molecular Formula:
C18H26
Molecular Weight:
242.3990
IUPAC Name:
1-decyl-4-ethynylbenzene
InChI:
InChI=1S/C18H26/c1-3-5-6-7-8-9-10-11-12-18-15-13-17(4-2)14-16-18/h2,13-16H,3,5-12H2,1H3
InChI Key:
RQFBYVBEAMKEKA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1ccc(cc1)C#C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.203g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.406g/mol
Monoisotopic Mass:
242.203g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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