Dimethyl 4-nitro-1H-indene-2,2(3H)-dicarboxylate - CAS 888327-26-2
Catalog: |
BB054463 |
Product Name: |
Dimethyl 4-nitro-1H-indene-2,2(3H)-dicarboxylate |
CAS: |
888327-26-2 |
Synonyms: |
AS-83891 |
IUPAC Name: | dimethyl 4-nitro-1,3-dihydroindene-2,2-dicarboxylate |
Molecular Weight: | 279.24 |
Molecular Formula: | C13H13NO6 |
Canonical SMILES: | COC(=O)C1(CC2=C(C1)C(=CC=C2)[N+](=O)[O-])C(=O)OC |
InChI: | InChI=1S/C13H13NO6/c1-19-11(15)13(12(16)20-2)6-8-4-3-5-10(14(17)18)9(8)7-13/h3-5H,6-7H2,1-2H3 |
InChI Key: | YNOARURNDVTFQP-UHFFFAOYSA-N |
Complexity: | 413 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.07428713 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.07428713 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 98.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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