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Home > Other Heterocycles > 1561151-48-1
1561151-48-1 | 2-(2-METHOXYETHYL)-7-OXABICYCLO[2.2.1]HEPTANE-2-CARBONITRILE
CAS No: 1561151-48-1 Catalog No: AG01DRBP MDL No:MFCD21227873
Product Description
Catalog Number:
AG01DRBP
Chemical Name:
2-(2-METHOXYETHYL)-7-OXABICYCLO[2.2.1]HEPTANE-2-CARBONITRILE
CAS Number:
1561151-48-1
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD21227873
IUPAC Name:
2-(2-methoxyethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
InChI:
InChI=1S/C10H15NO2/c1-12-5-4-10(7-11)6-8-2-3-9(10)13-8/h8-9H,2-6H2,1H3
InChI Key:
UXSBNSZWLNJWBK-UHFFFAOYSA-N
SMILES:
COCCC1(CC2OC1CC2)C#N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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