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32321-82-7 | 2H-1-Benzopyran-2-one, 4-hydroxy-3-[1-(hydroxyimino)ethyl]-
CAS No: 32321-82-7 Catalog No: AG007GSU MDL No:
Product Description
Catalog Number:
AG007GSU
Chemical Name:
2H-1-Benzopyran-2-one, 4-hydroxy-3-[1-(hydroxyimino)ethyl]-
CAS Number:
32321-82-7
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
IUPAC Name:
4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one
InChI:
InChI=1S/C11H9NO4/c1-6(12-15)9-10(13)7-4-2-3-5-8(7)16-11(9)14/h2-5,13,15H,1H3/b12-6+
InChI Key:
CDGTYXPZVNZDDH-WUXMJOGZSA-N
SMILES:
ON=C(c1c(=O)oc2c(c1O)cccc2)C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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