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823813-94-1 | 3-Hexene-1,5-diyn-1-amine, 3,4-diethynyl-
CAS No: 823813-94-1 Catalog No: AG004Y04 MDL No:
Product Description
Catalog Number:
AG004Y04
Chemical Name:
3-Hexene-1,5-diyn-1-amine, 3,4-diethynyl-
CAS Number:
823813-94-1
Molecular Formula:
C10H5N
Molecular Weight:
139.1534
IUPAC Name:
3,4-diethynylhex-3-en-1,5-diyn-1-amine
InChI:
InChI=1S/C10H5N/c1-4-9(5-2)10(6-3)7-8-11/h1-3H,11H2
InChI Key:
HROUFJRMULHAFE-UHFFFAOYSA-N
SMILES:
NC#CC(=C(C#C)C#C)C#C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.157g/mol
Monoisotopic Mass:
139.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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