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115044-20-7 | 1H-Indene-1,3(2H)-dione, 2-diazo-5-methoxy-
CAS No: 115044-20-7 Catalog No: AG000FRA MDL No:
Product Description
Catalog Number:
AG000FRA
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-diazo-5-methoxy-
CAS Number:
115044-20-7
Molecular Formula:
C10H6N2O3
Molecular Weight:
202.1662
IUPAC Name:
2-diazo-5-methoxyindene-1,3-dione
InChI:
InChI=1S/C10H6N2O3/c1-15-5-2-3-6-7(4-5)10(14)8(12-11)9(6)13/h2-4H,1H3
InChI Key:
JORFLVDZOCKQTE-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(=O)c(=[N+]=[N-])c2=O
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.169g/mol
Monoisotopic Mass:
202.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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