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88456-28-4 | Butanenitrile, 2-(ethoxymethylene)-, (Z)-
CAS No: 88456-28-4 Catalog No: AG004DO8 MDL No:
Product Description
Catalog Number:
AG004DO8
Chemical Name:
Butanenitrile, 2-(ethoxymethylene)-, (Z)-
CAS Number:
88456-28-4
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
IUPAC Name:
2-(ethoxymethylidene)butanenitrile
InChI:
InChI=1S/C7H11NO/c1-3-7(5-8)6-9-4-2/h6H,3-4H2,1-2H3
InChI Key:
NZDVKOMZLLVFCJ-UHFFFAOYSA-N
SMILES:
CCO/C=C(\C#N)/CC
Properties
Complexity:
140
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:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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