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88456-35-3 | Propanenitrile, 3,3-bis(1-methylethoxy)-
CAS No: 88456-35-3 Catalog No: AG004FIQ MDL No:
Product Description
Catalog Number:
AG004FIQ
Chemical Name:
Propanenitrile, 3,3-bis(1-methylethoxy)-
CAS Number:
88456-35-3
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
IUPAC Name:
3,3-di(propan-2-yloxy)propanenitrile
InChI:
InChI=1S/C9H17NO2/c1-7(2)11-9(5-6-10)12-8(3)4/h7-9H,5H2,1-4H3
InChI Key:
WWNUULXYIFHMKZ-UHFFFAOYSA-N
SMILES:
CC(OC(CC#N)OC(C)C)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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