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Home > Other Heterocycles > 1864428-29-4
1864428-29-4 | 2-(methoxymethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CAS No: 1864428-29-4 Catalog No: AG01DRC6 MDL No:MFCD31462223
Product Description
Catalog Number:
AG01DRC6
Chemical Name:
2-(methoxymethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CAS Number:
1864428-29-4
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD31462223
IUPAC Name:
2-(methoxymethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
InChI:
InChI=1S/C9H13NO2/c1-11-6-9(5-10)4-7-2-3-8(9)12-7/h7-8H,2-4,6H2,1H3
InChI Key:
XOLPKJMHAMHDFN-UHFFFAOYSA-N
SMILES:
COCC1(CC2OC1CC2)C#N
Properties
Complexity:
232
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:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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