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Home > Other Heterocycles > 119102-90-8
119102-90-8 | 2-Oxa-7-azaspiro[4.4]nonan-1-one, 7-(phenylmethyl)-
CAS No: 119102-90-8 Catalog No: AG000I73 MDL No:MFCD05662789
Product Description
Catalog Number:
AG000I73
Chemical Name:
2-Oxa-7-azaspiro[4.4]nonan-1-one, 7-(phenylmethyl)-
CAS Number:
119102-90-8
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
MDL Number:
MFCD05662789
IUPAC Name:
7-benzyl-2-oxa-7-azaspiro[4.4]nonan-1-one
InChI:
InChI=1S/C14H17NO2/c16-13-14(7-9-17-13)6-8-15(11-14)10-12-4-2-1-3-5-12/h1-5H,6-11H2
InChI Key:
QPZOFKOCEPRLRF-UHFFFAOYSA-N
SMILES:
O=C1OCCC21CCN(C2)Cc1ccccc1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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