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15893-52-4

15893-52-4 | 2H-1,4-Benzoxazin-3(4H)-one, 2,4-dihydroxy-7-methoxy-

CAS No: 15893-52-4 Catalog No: AG001R0N MDL No:

Product Description

Catalog Number:
AG001R0N
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 2,4-dihydroxy-7-methoxy-
CAS Number:
15893-52-4
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
IUPAC Name:
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one
InChI:
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
InChI Key:
GDNZNIJPBQATCZ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)OC(C(=O)N2O)O

Properties

Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0

Literature

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