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1904-22-9 | Propanenitrile, 3-(2-propyn-1-yloxy)-
CAS No: 1904-22-9 Catalog No: AG002EJZ MDL No:
Product Description
Catalog Number:
AG002EJZ
Chemical Name:
Propanenitrile, 3-(2-propyn-1-yloxy)-
CAS Number:
1904-22-9
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
IUPAC Name:
3-prop-2-ynoxypropanenitrile
InChI:
InChI=1S/C6H7NO/c1-2-5-8-6-3-4-7/h1H,3,5-6H2
InChI Key:
CRUYGVGJZNUPRI-UHFFFAOYSA-N
SMILES:
C#CCOCCC#N
NSC Number:
191798
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
109.128g/mol
Monoisotopic Mass:
109.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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