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Home > Nitro Compounds > 7509-22-0
7509-22-0 | 2-Buten-1-one,1,3-bis(3-nitrophenyl)-
CAS No: 7509-22-0 Catalog No: AG0056RN MDL No:
Product Description
Catalog Number:
AG0056RN
Chemical Name:
2-Buten-1-one,1,3-bis(3-nitrophenyl)-
CAS Number:
7509-22-0
Molecular Formula:
C16H12N2O5
Molecular Weight:
312.2769
IUPAC Name:
1,3-bis(3-nitrophenyl)but-2-en-1-one
InChI:
InChI=1S/C16H12N2O5/c1-11(12-4-2-6-14(9-12)17(20)21)8-16(19)13-5-3-7-15(10-13)18(22)23/h2-10H,1H3
InChI Key:
HYANPVXCNXDNLW-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)c1cccc(c1)[N+](=O)[O-])c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.075g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.281g/mol
Monoisotopic Mass:
312.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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