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935-14-8 | 1,4-Diethynylbenzene
CAS No: 935-14-8 Catalog No: AG0032N0 MDL No:MFCD00078375
Product Description
Catalog Number:
AG0032N0
Chemical Name:
1,4-Diethynylbenzene
CAS Number:
935-14-8
Molecular Formula:
C10H6
Molecular Weight:
126.1546
MDL Number:
MFCD00078375
IUPAC Name:
1,4-diethynylbenzene
InChI:
InChI=1S/C10H6/c1-3-9-5-7-10(4-2)8-6-9/h1-2,5-8H
InChI Key:
MVLGANVFCMOJHR-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)C#C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.047g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.158g/mol
Monoisotopic Mass:
126.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
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