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Home > Nitro Compounds > 70971-47-0
70971-47-0 | 4-(4-nitrobenzoyl)-1-oxa-4-azaspiro[4.5]decane
CAS No: 70971-47-0 Catalog No: AG00IT7S MDL No:MFCD02169489
Product Description
Catalog Number:
AG00IT7S
Chemical Name:
4-(4-nitrobenzoyl)-1-oxa-4-azaspiro[4.5]decane
CAS Number:
70971-47-0
Molecular Formula:
C15H18N2O4
Molecular Weight:
290.3144
MDL Number:
MFCD02169489
IUPAC Name:
(4-nitrophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone
InChI:
InChI=1S/C15H18N2O4/c18-14(12-4-6-13(7-5-12)17(19)20)16-10-11-21-15(16)8-2-1-3-9-15/h4-7H,1-3,8-11H2
InChI Key:
YEMFTRKGXSKGBS-UHFFFAOYSA-N
SMILES:
O=C(N1CCOC21CCCCC2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.319g/mol
Monoisotopic Mass:
290.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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