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4295-99-2 | 4-Cyanotetrahydro-4H-pyran
CAS No: 4295-99-2 Catalog No: AG003L9Q MDL No:MFCD08690357
Product Description
Catalog Number:
AG003L9Q
Chemical Name:
4-Cyanotetrahydro-4H-pyran
CAS Number:
4295-99-2
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
MDL Number:
MFCD08690357
IUPAC Name:
oxane-4-carbonitrile
InChI:
InChI=1S/C6H9NO/c7-5-6-1-3-8-4-2-6/h6H,1-4H2
InChI Key:
RLZJFTOYCVIYLE-UHFFFAOYSA-N
SMILES:
N#CC1CCOCC1
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.144g/mol
Monoisotopic Mass:
111.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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