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Home > Nitro Compounds > 898786-21-5
898786-21-5 | 3-(1,3-DIOXAN-2-YL)-3'-NITROPROPIOPHENONE
CAS No: 898786-21-5 Catalog No: AG00GZEQ MDL No:
Product Description
Catalog Number:
AG00GZEQ
Chemical Name:
3-(1,3-DIOXAN-2-YL)-3'-NITROPROPIOPHENONE
CAS Number:
898786-21-5
Molecular Formula:
C13H15NO5
Molecular Weight:
265.2619
IUPAC Name:
3-(1,3-dioxan-2-yl)-1-(3-nitrophenyl)propan-1-one
InChI:
InChI=1S/C13H15NO5/c15-12(5-6-13-18-7-2-8-19-13)10-3-1-4-11(9-10)14(16)17/h1,3-4,9,13H,2,5-8H2
InChI Key:
DADILSHUVAVFTC-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])CCC1OCCCO1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.265g/mol
Monoisotopic Mass:
265.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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