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2107-85-9 | 1H-Indene-1,2(3H)-dione, 5,6-dimethoxy-, 2-oxime
CAS No: 2107-85-9 Catalog No: AG002KXK MDL No:MFCD18432057
Product Description
Catalog Number:
AG002KXK
Chemical Name:
1H-Indene-1,2(3H)-dione, 5,6-dimethoxy-, 2-oxime
CAS Number:
2107-85-9
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD18432057
IUPAC Name:
2-hydroxyimino-5,6-dimethoxy-3H-inden-1-one
InChI:
InChI=1S/C11H11NO4/c1-15-9-4-6-3-8(12-14)11(13)7(6)5-10(9)16-2/h4-5,14H,3H2,1-2H3
InChI Key:
AXBBGHFTZOZJHA-UHFFFAOYSA-N
SMILES:
ON=C1Cc2c(C1=O)cc(c(c2)OC)OC
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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