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Home > Nitro Compounds > 1854943-72-8
1854943-72-8 | 3-(3-methoxy-4-nitrophenyl)-3,9-diazaspiro[5.5]undecane
CAS No: 1854943-72-8 Catalog No: AG00I1K2 MDL No:
Product Description
Catalog Number:
AG00I1K2
Chemical Name:
3-(3-methoxy-4-nitrophenyl)-3,9-diazaspiro[5.5]undecane
CAS Number:
1854943-72-8
Molecular Formula:
C16H23N3O3
Molecular Weight:
305.3721
IUPAC Name:
3-(3-methoxy-4-nitrophenyl)-3,9-diazaspiro[5.5]undecane
InChI:
InChI=1S/C16H23N3O3/c1-22-15-12-13(2-3-14(15)19(20)21)18-10-6-16(7-11-18)4-8-17-9-5-16/h2-3,12,17H,4-11H2,1H3
InChI Key:
LYYHMJMNHMDZOJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])N1CCC2(CC1)CCNCC2
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.378g/mol
Monoisotopic Mass:
305.174g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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