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20197-92-6 | 2H-3,1-Benzoxazine-2,4(1H)-dione, 6,7-dimethoxy-
CAS No: 20197-92-6 Catalog No: AG0027YR MDL No:MFCD03426390
Product Description
Catalog Number:
AG0027YR
Chemical Name:
2H-3,1-Benzoxazine-2,4(1H)-dione, 6,7-dimethoxy-
CAS Number:
20197-92-6
Molecular Formula:
C10H9NO5
Molecular Weight:
223.1822
MDL Number:
MFCD03426390
IUPAC Name:
6,7-dimethoxy-1H-3,1-benzoxazine-2,4-dione
InChI:
InChI=1S/C10H9NO5/c1-14-7-3-5-6(4-8(7)15-2)11-10(13)16-9(5)12/h3-4H,1-2H3,(H,11,13)
InChI Key:
SHWCMBUPQTWNES-UHFFFAOYSA-N
SMILES:
COc1cc2[nH]c(=O)oc(=O)c2cc1OC
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.184g/mol
Monoisotopic Mass:
223.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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