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115756-75-7 | 3,11-Tetradecadiyne
CAS No: 115756-75-7 Catalog No: AG000GTW MDL No:
Product Description
Catalog Number:
AG000GTW
Chemical Name:
3,11-Tetradecadiyne
CAS Number:
115756-75-7
Molecular Formula:
C14H22
Molecular Weight:
190.3245
IUPAC Name:
tetradeca-3,11-diyne
InChI:
InChI=1S/C14H22/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-4,9-14H2,1-2H3
InChI Key:
GWEORXAUXMNRCT-UHFFFAOYSA-N
SMILES:
CCC#CCCCCCCC#CCC
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.172g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.33g/mol
Monoisotopic Mass:
190.172g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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