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14618-78-1 | Butanenitrile, 4,4-dimethoxy-
CAS No: 14618-78-1 Catalog No: AG001DS4 MDL No:MFCD00019883
Product Description
Catalog Number:
AG001DS4
Chemical Name:
Butanenitrile, 4,4-dimethoxy-
CAS Number:
14618-78-1
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
MDL Number:
MFCD00019883
IUPAC Name:
4,4-dimethoxybutanenitrile
InChI:
InChI=1S/C6H11NO2/c1-8-6(9-2)4-3-5-7/h6H,3-4H2,1-2H3
InChI Key:
XJHNCGVHPLDMRK-UHFFFAOYSA-N
SMILES:
COC(CCC#N)OC
EC Number:
238-658-8
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.159g/mol
Monoisotopic Mass:
129.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| An easy access to 7-methyl-2-naphthalenecarbonitrile. | Chemical & pharmaceutical bulletin 20050401 |
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