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116316-76-8 | Cyclopropane, 1,3-pentadiyn-1-yl-
CAS No: 116316-76-8 Catalog No: AG000C6O MDL No:
Product Description
Catalog Number:
AG000C6O
Chemical Name:
Cyclopropane, 1,3-pentadiyn-1-yl-
CAS Number:
116316-76-8
Molecular Formula:
C8H8
Molecular Weight:
104.1491
IUPAC Name:
penta-1,3-diynylcyclopropane
InChI:
InChI=1S/C8H8/c1-2-3-4-5-8-6-7-8/h8H,6-7H2,1H3
InChI Key:
ZEKLXAZDDKNQBK-UHFFFAOYSA-N
SMILES:
CC#CC#CC1CC1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
104.152g/mol
Monoisotopic Mass:
104.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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