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56011-12-2 | 2,2-Diethoxypropanenitrile
CAS No: 56011-12-2 Catalog No: AG003B39 MDL No:MFCD00209573
Product Description
Catalog Number:
AG003B39
Chemical Name:
2,2-Diethoxypropanenitrile
CAS Number:
56011-12-2
Molecular Formula:
C7H13NO2
Molecular Weight:
143.1836
MDL Number:
MFCD00209573
IUPAC Name:
2,2-diethoxypropanenitrile
InChI:
InChI=1S/C7H13NO2/c1-4-9-7(3,6-8)10-5-2/h4-5H2,1-3H3
InChI Key:
QPFCLGADWIWYFW-UHFFFAOYSA-N
SMILES:
CCOC(C#N)(OCC)C
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.186g/mol
Monoisotopic Mass:
143.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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