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Home > Other Heterocycles > 1353878-21-3
1353878-21-3 | 3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CAS No: 1353878-21-3 Catalog No: AG00IT2X MDL No:MFCD20444437
Product Description
Catalog Number:
AG00IT2X
Chemical Name:
3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CAS Number:
1353878-21-3
Molecular Formula:
C15H20N2O2
Molecular Weight:
260.3315
MDL Number:
MFCD20444437
IUPAC Name:
3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
InChI:
InChI=1S/C15H20N2O2/c1-11-3-4-13(9-12(11)2)17-10-15(19-14(17)18)5-7-16-8-6-15/h3-4,9,16H,5-8,10H2,1-2H3
InChI Key:
STAAIWVSWVKDSQ-UHFFFAOYSA-N
SMILES:
O=C1OC2(CN1c1ccc(c(c1)C)C)CCNCC2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.337g/mol
Monoisotopic Mass:
260.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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