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Home > Nitro Compounds > 206258-17-5
206258-17-5 | 2-Butanone, 4-hydroxy-4-(2-methoxy-5-nitrophenyl)-
CAS No: 206258-17-5 Catalog No: AG002IDT MDL No:
Product Description
Catalog Number:
AG002IDT
Chemical Name:
2-Butanone, 4-hydroxy-4-(2-methoxy-5-nitrophenyl)-
CAS Number:
206258-17-5
Molecular Formula:
C11H13NO5
Molecular Weight:
239.2246
IUPAC Name:
4-hydroxy-4-(2-methoxy-5-nitrophenyl)butan-2-one
InChI:
InChI=1S/C11H13NO5/c1-7(13)5-10(14)9-6-8(12(15)16)3-4-11(9)17-2/h3-4,6,10,14H,5H2,1-2H3
InChI Key:
MKTFIKYMHQLEDD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(CC(=O)C)O)[N+](=O)[O-]
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.227g/mol
Monoisotopic Mass:
239.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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