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Home > Other Heterocycles > 1849739-99-6
1849739-99-6 | 4-methoxy-1,6-dioxaspiro[2.5]octane-2-carbonitrile
CAS No: 1849739-99-6 Catalog No: AG01BNY2 MDL No:MFCD31432080
Product Description
Catalog Number:
AG01BNY2
Chemical Name:
4-methoxy-1,6-dioxaspiro[2.5]octane-2-carbonitrile
CAS Number:
1849739-99-6
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD31432080
IUPAC Name:
4-methoxy-1,6-dioxaspiro[2.5]octane-2-carbonitrile
InChI:
InChI=1S/C8H11NO3/c1-10-7-5-11-3-2-8(7)6(4-9)12-8/h6-7H,2-3,5H2,1H3
InChI Key:
NOBRBZWXCNCQEX-UHFFFAOYSA-N
SMILES:
COC1COCCC21OC2C#N
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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