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81788-53-6 | 2H-1-Benzopyran-2-one, 7-hydroxy-8-[1-(hydroxyimino)ethyl]-4-methyl-
CAS No: 81788-53-6 Catalog No: AG0056TH MDL No:
Product Description
Catalog Number:
AG0056TH
Chemical Name:
2H-1-Benzopyran-2-one, 7-hydroxy-8-[1-(hydroxyimino)ethyl]-4-methyl-
CAS Number:
81788-53-6
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
7-hydroxy-8-(N-hydroxy-C-methylcarbonimidoyl)-4-methylchromen-2-one
InChI:
InChI=1S/C12H11NO4/c1-6-5-10(15)17-12-8(6)3-4-9(14)11(12)7(2)13-16/h3-5,14,16H,1-2H3
InChI Key:
NLGZHVWFAWBPMA-UHFFFAOYSA-N
SMILES:
ON=C(c1c(O)ccc2c1oc(=O)cc2C)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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