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Home > Nitro Compounds > 123532-35-4
123532-35-4 | 3-Penten-2-one, 4-hydroxy-3-(4-nitrophenyl)-
CAS No: 123532-35-4 Catalog No: AG000KQZ MDL No:
Product Description
Catalog Number:
AG000KQZ
Chemical Name:
3-Penten-2-one, 4-hydroxy-3-(4-nitrophenyl)-
CAS Number:
123532-35-4
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
IUPAC Name:
4-hydroxy-3-(4-nitrophenyl)pent-3-en-2-one
InChI:
InChI=1S/C11H11NO4/c1-7(13)11(8(2)14)9-3-5-10(6-4-9)12(15)16/h3-6,13H,1-2H3
InChI Key:
AYZPDYXHQIGAHR-UHFFFAOYSA-N
SMILES:
CC(=C(c1ccc(cc1)[N+](=O)[O-])C(=O)C)O
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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