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88456-38-6 | Propanenitrile, 3,3-diethoxy-2-(methoxymethyl)-
CAS No: 88456-38-6 Catalog No: AG004DO5 MDL No:
Product Description
Catalog Number:
AG004DO5
Chemical Name:
Propanenitrile, 3,3-diethoxy-2-(methoxymethyl)-
CAS Number:
88456-38-6
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
IUPAC Name:
3,3-diethoxy-2-(methoxymethyl)propanenitrile
InChI:
InChI=1S/C9H17NO3/c1-4-12-9(13-5-2)8(6-10)7-11-3/h8-9H,4-5,7H2,1-3H3
InChI Key:
GDPHGZBSWPADHV-UHFFFAOYSA-N
SMILES:
COCC(C(OCC)OCC)C#N
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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