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Home > Nitro Compounds > 203111-49-3
203111-49-3 | 2-Butanone, 4-hydroxy-3-methylene-4-(4-nitrophenyl)-
CAS No: 203111-49-3 Catalog No: AG0028OI MDL No:
Product Description
Catalog Number:
AG0028OI
Chemical Name:
2-Butanone, 4-hydroxy-3-methylene-4-(4-nitrophenyl)-
CAS Number:
203111-49-3
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
IUPAC Name:
3-[hydroxy-(4-nitrophenyl)methyl]but-3-en-2-one
InChI:
InChI=1S/C11H11NO4/c1-7(8(2)13)11(14)9-3-5-10(6-4-9)12(15)16/h3-6,11,14H,1H2,2H3
InChI Key:
MGLTVXYJTUVPPH-UHFFFAOYSA-N
SMILES:
CC(=O)C(=C)C(c1ccc(cc1)[N+](=O)[O-])O
Properties
Complexity:
300
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:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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