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Home > Other Heterocycles > 1852055-34-5
1852055-34-5 | 6-methoxy-1-oxaspiro[2.5]octane-2-carbonitrile
CAS No: 1852055-34-5 Catalog No: AG01BNXX MDL No:MFCD31432069
Product Description
Catalog Number:
AG01BNXX
Chemical Name:
6-methoxy-1-oxaspiro[2.5]octane-2-carbonitrile
CAS Number:
1852055-34-5
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD31432069
IUPAC Name:
6-methoxy-1-oxaspiro[2.5]octane-2-carbonitrile
InChI:
InChI=1S/C9H13NO2/c1-11-7-2-4-9(5-3-7)8(6-10)12-9/h7-8H,2-5H2,1H3
InChI Key:
HZVINTBHMDSKTP-UHFFFAOYSA-N
SMILES:
COC1CCC2(CC1)OC2C#N
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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