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155204-50-5 | 1,4-Pentadiyne, 3-ethynyl-
CAS No: 155204-50-5 Catalog No: AG001NQA MDL No:
Product Description
Catalog Number:
AG001NQA
Chemical Name:
1,4-Pentadiyne, 3-ethynyl-
CAS Number:
155204-50-5
Molecular Formula:
C7H4
Molecular Weight:
88.1067
IUPAC Name:
3-ethynylpenta-1,4-diyne
InChI:
InChI=1S/C7H4/c1-4-7(5-2)6-3/h1-3,7H
InChI Key:
BIGDOUUFKONCKO-UHFFFAOYSA-N
SMILES:
C#CC(C#C)C#C
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
88.031g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
88.109g/mol
Monoisotopic Mass:
88.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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