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Home > Indoles and Oxindole > 917884-89-0
917884-89-0 | Pyrano[3,2-e]isoindol-1(7H)-one, 2,3,8,9-tetrahydro-2-methyl-8-nitro-
CAS No: 917884-89-0 Catalog No: AG006C14 MDL No:
Product Description
Catalog Number:
AG006C14
Chemical Name:
Pyrano[3,2-e]isoindol-1(7H)-one, 2,3,8,9-tetrahydro-2-methyl-8-nitro-
CAS Number:
917884-89-0
Molecular Formula:
C12H12N2O4
Molecular Weight:
248.2347
IUPAC Name:
2-methyl-8-nitro-3,7,8,9-tetrahydropyrano[2,3-g]isoindol-1-one
InChI:
InChI=1S/C12H12N2O4/c1-13-5-7-2-3-10-9(11(7)12(13)15)4-8(6-18-10)14(16)17/h2-3,8H,4-6H2,1H3
InChI Key:
MFBRPNKFZAETBS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1COc2c(C1)c1c(cc2)CN(C1=O)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.238g/mol
Monoisotopic Mass:
248.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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