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24726-96-3 | Propanenitrile, 3-[(1,1-dimethyl-4-penten-2-yn-1-yl)oxy]-
CAS No: 24726-96-3 Catalog No: AG002P8W MDL No:
Product Description
Catalog Number:
AG002P8W
Chemical Name:
Propanenitrile, 3-[(1,1-dimethyl-4-penten-2-yn-1-yl)oxy]-
CAS Number:
24726-96-3
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
IUPAC Name:
3-(2-methylhex-5-en-3-yn-2-yloxy)propanenitrile
InChI:
InChI=1S/C10H13NO/c1-4-5-7-10(2,3)12-9-6-8-11/h4H,1,6,9H2,2-3H3
InChI Key:
RNWZPIYWVNLKNA-UHFFFAOYSA-N
SMILES:
C=CC#CC(OCCC#N)(C)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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