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141135-35-5 | Benzene, 1,4-di-1,3-butadiyn-1-yl-
CAS No: 141135-35-5 Catalog No: AG001FZD MDL No:
Product Description
Catalog Number:
AG001FZD
Chemical Name:
Benzene, 1,4-di-1,3-butadiyn-1-yl-
CAS Number:
141135-35-5
Molecular Formula:
C14H6
Molecular Weight:
174.1974
IUPAC Name:
1,4-bis(buta-1,3-diynyl)benzene
InChI:
InChI=1S/C14H6/c1-3-5-7-13-9-11-14(12-10-13)8-6-4-2/h1-2,9-12H
InChI Key:
LJUJUOAJNJHKDO-UHFFFAOYSA-N
SMILES:
C#CC#Cc1ccc(cc1)C#CC#C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.202g/mol
Monoisotopic Mass:
174.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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