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850429-50-4 | 2-(Tetrahydro-2H-pyran-4-yl)acetonitrile
CAS No: 850429-50-4 Catalog No: AG004ZIA MDL No:MFCD04973733
Product Description
Catalog Number:
AG004ZIA
Chemical Name:
2-(Tetrahydro-2H-pyran-4-yl)acetonitrile
CAS Number:
850429-50-4
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
MDL Number:
MFCD04973733
IUPAC Name:
2-(oxan-4-yl)acetonitrile
InChI:
InChI=1S/C7H11NO/c8-4-1-7-2-5-9-6-3-7/h7H,1-3,5-6H2
InChI Key:
IOWDVKYQRLPOLY-UHFFFAOYSA-N
SMILES:
N#CCC1CCOCC1
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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