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14989-89-0 | 1-Propyne, 3-azido-
CAS No: 14989-89-0 Catalog No: AG001M3D MDL No:
Product Description
Catalog Number:
AG001M3D
Chemical Name:
1-Propyne, 3-azido-
CAS Number:
14989-89-0
Molecular Formula:
C3H3N3
Molecular Weight:
81.0760
IUPAC Name:
3-azidoprop-1-yne
InChI:
InChI=1S/C3H3N3/c1-2-3-5-6-4/h1H,3H2
InChI Key:
KNKSFTKZKDBSMH-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCC#C
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
81.033g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
81.078g/mol
Monoisotopic Mass:
81.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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