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130575-28-9 | Propanedinitrile, 2-(2-propyn-1-yl)-
CAS No: 130575-28-9 Catalog No: AG000UNR MDL No:
Product Description
Catalog Number:
AG000UNR
Chemical Name:
Propanedinitrile, 2-(2-propyn-1-yl)-
CAS Number:
130575-28-9
Molecular Formula:
C6H4N2
Molecular Weight:
104.1094
IUPAC Name:
2-prop-1-ynylpropanedinitrile
InChI:
InChI=1S/C6H4N2/c1-2-3-6(4-7)5-8/h6H,1H3
InChI Key:
NIDWALYQINGPNX-UHFFFAOYSA-N
SMILES:
C#CCC(C#N)C#N
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.037g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
104.112g/mol
Monoisotopic Mass:
104.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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