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189458-05-7 | Furan, 2,4-diethynyl-
CAS No: 189458-05-7 Catalog No: AG002DPC MDL No:MFCD28663222
Product Description
Catalog Number:
AG002DPC
Chemical Name:
Furan, 2,4-diethynyl-
CAS Number:
189458-05-7
Molecular Formula:
C8H4O
Molecular Weight:
116.1168
MDL Number:
MFCD28663222
IUPAC Name:
2,4-diethynylfuran
InChI:
InChI=1S/C8H4O/c1-3-7-5-8(4-2)9-6-7/h1-2,5-6H
InChI Key:
AOTUYKVTEQHCDV-UHFFFAOYSA-N
SMILES:
C#Cc1occ(c1)C#C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.026g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.119g/mol
Monoisotopic Mass:
116.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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