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848481-05-0 | Butanenitrile, 2-(methoxymethylene)-3-oxo-, (2E)-
CAS No: 848481-05-0 Catalog No: AG004QT1 MDL No:
Product Description
Catalog Number:
AG004QT1
Chemical Name:
Butanenitrile, 2-(methoxymethylene)-3-oxo-, (2E)-
CAS Number:
848481-05-0
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
IUPAC Name:
2-(methoxymethylidene)-3-oxobutanenitrile
InChI:
InChI=1S/C6H7NO2/c1-5(8)6(3-7)4-9-2/h4H,1-2H3
InChI Key:
ZHZWVYRNXWFHFP-UHFFFAOYSA-N
SMILES:
CO/C=C(/C(=O)C)\C#N
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.1
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