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Home > Nitro Compounds > 923106-13-2
923106-13-2 | 1-(5-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-nitrophenyl)ethan-1-one
CAS No: 923106-13-2 Catalog No: AG00INVN MDL No:MFCD08064701
Product Description
Catalog Number:
AG00INVN
Chemical Name:
1-(5-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-nitrophenyl)ethan-1-one
CAS Number:
923106-13-2
Molecular Formula:
C15H18N2O5
Molecular Weight:
306.3138
MDL Number:
MFCD08064701
IUPAC Name:
1-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-nitrophenyl]ethanone
InChI:
InChI=1S/C15H18N2O5/c1-11(18)13-10-12(2-3-14(13)17(19)20)16-6-4-15(5-7-16)21-8-9-22-15/h2-3,10H,4-9H2,1H3
InChI Key:
QARQUHPVVTXZEL-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(ccc1[N+](=O)[O-])N1CCC2(CC1)OCCO2
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.318g/mol
Monoisotopic Mass:
306.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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