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88020-03-5 | Benzene, 1-dodecyl-4-ethynyl-
CAS No: 88020-03-5 Catalog No: AG004JS8 MDL No:
Product Description
Catalog Number:
AG004JS8
Chemical Name:
Benzene, 1-dodecyl-4-ethynyl-
CAS Number:
88020-03-5
Molecular Formula:
C20H30
Molecular Weight:
270.4522
IUPAC Name:
1-dodecyl-4-ethynylbenzene
InChI:
InChI=1S/C20H30/c1-3-5-6-7-8-9-10-11-12-13-14-20-17-15-19(4-2)16-18-20/h2,15-18H,3,5-14H2,1H3
InChI Key:
IUPJHZHRXLYZBR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccc(cc1)C#C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.235g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.46g/mol
Monoisotopic Mass:
270.235g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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