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75985-35-2 | 2-Aziridinecarbonitrile, 1-(2-propynyl)-
CAS No: 75985-35-2 Catalog No: AG005GTN MDL No:
Product Description
Catalog Number:
AG005GTN
Chemical Name:
2-Aziridinecarbonitrile, 1-(2-propynyl)-
CAS Number:
75985-35-2
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
IUPAC Name:
1-prop-2-ynylaziridine-2-carbonitrile
InChI:
InChI=1S/C6H6N2/c1-2-3-8-5-6(8)4-7/h1,6H,3,5H2
InChI Key:
PGGYBMMLXSFYRM-UHFFFAOYSA-N
SMILES:
C#CCN1CC1C#N
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
106.128g/mol
Monoisotopic Mass:
106.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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