Home Nitriles Pentanedinitrile, 3-hydroxy-3-methyl-

Pentanedinitrile, 3-hydroxy-3-methyl-

CAS No.:
72060-94-7
Catalog Number:
AG005DB9
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
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Product Description
Catalog Number:
AG005DB9
Chemical Name:
Pentanedinitrile, 3-hydroxy-3-methyl-
CAS Number:
72060-94-7
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD14584738
IUPAC Name:
3-hydroxy-3-methylpentanedinitrile
InChI:
InChI=1S/C6H8N2O/c1-6(9,2-4-7)3-5-8/h9H,2-3H2,1H3
InChI Key:
JMYCGBHPZNFSLX-UHFFFAOYSA-N
SMILES:
N#CCC(CC#N)(O)C
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties