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Home > Other Heterocycles > 2059975-05-0
2059975-05-0 | 1-(1-methyl-1H-pyrrol-3-yl)-6-oxa-2-azaspiro[3.4]octane
CAS No: 2059975-05-0 Catalog No: AG01BQGN MDL No:MFCD30501426
Product Description
Catalog Number:
AG01BQGN
Chemical Name:
1-(1-methyl-1H-pyrrol-3-yl)-6-oxa-2-azaspiro[3.4]octane
CAS Number:
2059975-05-0
Molecular Formula:
C11H16N2O
Molecular Weight:
192.2575
MDL Number:
MFCD30501426
IUPAC Name:
3-(1-methylpyrrol-3-yl)-6-oxa-2-azaspiro[3.4]octane
InChI:
InChI=1S/C11H16N2O/c1-13-4-2-9(6-13)10-11(7-12-10)3-5-14-8-11/h2,4,6,10,12H,3,5,7-8H2,1H3
InChI Key:
AJODJRXWNMHQAB-UHFFFAOYSA-N
SMILES:
Cn1ccc(c1)C1NCC21COCC2
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.262g/mol
Monoisotopic Mass:
192.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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