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| CAS No.: | 94158-15-3 |
|---|---|
| Name: | strontium 6-diazo-3-hydroxy-2,4-dinitrocyclohexa-2,4-dienolate |
| Molecular Structure: | |
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| Formula: | C12H6N8O12Sr |
| Molecular Weight: | 541.84244 |
| Synonyms: | 2,4-Cyclohexadien-1-one,6-diazo-3-hydroxy-2,4-dinitro-, strontium salt (9CI); |
| EINECS: | 303-086-0 |
| PSA: | 344.64000 |
| LogP: | 1.60852 |
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Specification
The 2,4-Cyclohexadien-1-one,6-diazo-3-hydroxy-2,4-dinitro-, strontium salt (2:1), with the CAS registry number 94158-15-3, is also known as Strontium 6-diazo-3-hydroxy-2,4-dinitrocyclohexa-2,4-dienolate. Its EINECS registry number is 303-086-0. This chemical's molecular formula is C12H6N8O12Sr and molecular weight is 541.84244. Its IUPAC name is called strontium 6-diazo-3-hydroxy-2,4-dinitrocyclohexa-2,4-dien-1-olate.
Physical properties of 2,4-Cyclohexadien-1-one,6-diazo-3-hydroxy-2,4-dinitro-, strontium salt (2:1): (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 14; (3)Rotatable Bond Count: 0; (4)Tautomer Count: 6; (5)Exact Mass: 541.916132; (6)MonoIsotopic Mass: 541.916132; (7)Topological Polar Surface Area: 274; (8)Heavy Atom Count: 33; (9)Formal Charge: 0; (10)Complexity: 474; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 2; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 2; (16)Covalently-Bonded Unit Count: 3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C(=C(C(C1=[N+]=[N-])[O-])[N+](=O)[O-])O)[N+](=O)[O-].C1=C(C(=C(C(C1=[N+]=[N-])[O-])[N+](=O)[O-])O)[N+](=O)[O-].[Sr+2]
(2)InChI: InChI=1S/2C6H3N4O6.Sr/c2*7-8-2-1-3(9(13)14)6(12)4(5(2)11)10(15)16;/h2*1,5,12H;/q2*-1;+2
(3)InChIKey: VUVNVCNNRMBYGT-UHFFFAOYSA-N