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Home > Other Heterocycles > 2059955-79-0
2059955-79-0 | 1-(1-ethyl-1H-pyrazol-4-yl)-6-oxa-2-azaspiro[3.4]octane
CAS No: 2059955-79-0 Catalog No: AG01BQFE MDL No:MFCD30501381
Product Description
Catalog Number:
AG01BQFE
Chemical Name:
1-(1-ethyl-1H-pyrazol-4-yl)-6-oxa-2-azaspiro[3.4]octane
CAS Number:
2059955-79-0
Molecular Formula:
C11H17N3O
Molecular Weight:
207.2722
MDL Number:
MFCD30501381
IUPAC Name:
3-(1-ethylpyrazol-4-yl)-6-oxa-2-azaspiro[3.4]octane
InChI:
InChI=1S/C11H17N3O/c1-2-14-6-9(5-13-14)10-11(7-12-10)3-4-15-8-11/h5-6,10,12H,2-4,7-8H2,1H3
InChI Key:
CVIVEVZPEPSLBR-UHFFFAOYSA-N
SMILES:
CCn1ncc(c1)C1NCC21COCC2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.137g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.277g/mol
Monoisotopic Mass:
207.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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