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75394-84-2 | 2H-Pyran-2-acetonitrile,tetrahydro-
CAS No: 75394-84-2 Catalog No: AG005XZK MDL No:MFCD08234895
Product Description
Catalog Number:
AG005XZK
Chemical Name:
2H-Pyran-2-acetonitrile,tetrahydro-
CAS Number:
75394-84-2
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
MDL Number:
MFCD08234895
IUPAC Name:
2-(oxan-2-yl)acetonitrile
InChI:
InChI=1S/C7H11NO/c8-5-4-7-3-1-2-6-9-7/h7H,1-4,6H2
InChI Key:
LEIYRDQWDXPNJY-UHFFFAOYSA-N
SMILES:
N#CCC1CCCCO1
Properties
Complexity:
124
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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