HBK

(2S)-2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one

Created:	2011-03-08
Last modified:	2011-06-04

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1 entries where HBK is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	1
Bond Count	25
Aromatic Bond Count	6

2D diagram of HBK

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Chemical Component Summary
Name	(2S)-2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
Systematic Name (OpenEye OEToolkits)	(2S)-2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one
Formula	C₉ H₉ N O₅
Molecular Weight	211.171
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1N(O)c2c(OC1O)cc(OC)cc2
SMILES	CACTVS	3.370	COc1ccc2N(O)C(=O)[CH](O)Oc2c1
SMILES	OpenEye OEToolkits	1.7.0	COc1ccc2c(c1)OC(C(=O)N2O)O
Canonical SMILES	CACTVS	3.370	COc1ccc2N(O)C(=O)[C@@H](O)Oc2c1
Canonical SMILES	OpenEye OEToolkits	1.7.0	COc1ccc2c(c1)O[C@@H](C(=O)N2O)O
InChI	InChI	1.03	InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3/t9-/m0/s1
InChIKey	InChI	1.03	GDNZNIJPBQATCZ-VIFPVBQESA-N

Related Resource References

Resource Name	Reference
PubChem	38988536

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