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Home > Nitro Compounds > 2060040-83-5
2060040-83-5 | 7-hydroxy-4,4-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-2-one
CAS No: 2060040-83-5 Catalog No: AG01BWQE MDL No:MFCD30477340
Product Description
Catalog Number:
AG01BWQE
Chemical Name:
7-hydroxy-4,4-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-2-one
CAS Number:
2060040-83-5
Molecular Formula:
C11H11NO5
Molecular Weight:
237.2087
MDL Number:
MFCD30477340
IUPAC Name:
7-hydroxy-4,4-dimethyl-6-nitro-3H-chromen-2-one
InChI:
InChI=1S/C11H11NO5/c1-11(2)5-10(14)17-9-4-8(13)7(12(15)16)3-6(9)11/h3-4,13H,5H2,1-2H3
InChI Key:
GPBHWNWUYSVKFX-UHFFFAOYSA-N
SMILES:
O=C1Oc2cc(O)c(cc2C(C1)(C)C)[N+](=O)[O-]
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.211g/mol
Monoisotopic Mass:
237.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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