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88239-11-6 | 2-Pentenenitrile, 3-amino-4-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS No: 88239-11-6 Catalog No: AG004B1P MDL No:
Product Description
Catalog Number:
AG004B1P
Chemical Name:
2-Pentenenitrile, 3-amino-4-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS Number:
88239-11-6
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
IUPAC Name:
3-amino-4-(oxan-2-yloxy)pent-2-enenitrile
InChI:
InChI=1S/C10H16N2O2/c1-8(9(12)5-6-11)14-10-4-2-3-7-13-10/h5,8,10H,2-4,7,12H2,1H3
InChI Key:
YROWXKUCHPUFLH-UHFFFAOYSA-N
SMILES:
N#CC=C(C(OC1CCCCO1)C)N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.25g/mol
Monoisotopic Mass:
196.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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