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CAS No.: | 83863-50-7 |
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Name: | naphthalene-2,6-di(sulphonohydrazide) |
Molecular Structure: | |
Formula: | C10H12N4O4S2 |
Molecular Weight: | 316.35668 |
Synonyms: | 2,6-Naphthalenedisulfonicacid, dihydrazide (9CI); |
EINECS: | 281-113-4 |
PSA: | 161.14000 |
LogP: | 3.48780 |
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The 2,6-Naphthalenedisulfonicacid, 2,6-dihydrazide, with the CAS registry number 83863-50-7, is also known as 2,6-Naphthalenedisulfonic acid dihydrazide. Its EINECS registry number is 281-113-4. This chemical's molecular formula is C10H12N4O4S2 and molecular weight is 316.35668. What's more, its IUPAC name is called Naphthalene-2,6-disulfonohydrazide.
Properties Computed from Structure about 2,6-Naphthalenedisulfonicacid, 2,6-dihydrazide are: (1)XLogP3-AA -0.4; (2)H-Bond Donor 4; (3)H-Bond Acceptor 8; (4)Rotatable Bond Count 4; (5)Exact Mass 316.029996; (6)MonoIsotopic Mass 316.029996; (7)Topological Polar Surface Area 161; (8)Heavy Atom Count 20; (9)Formal Charge 0; (10)Complexity 487; (11)Isotope Atom Count 0; (12)Defined Atom StereoCenter Count 0; (13)Undefined Atom StereoCenter Count 0; (14)Defined Bond StereoCenter Count 0; (15)Undefined Bond StereoCenter Count 0; (16)Covalently-Bonded Unit Count 1; (17)Feature 3D Acceptor Count 4; (18)Feature 3D Donor Count 2; (19)Feature 3D Ring Count 2; (20)Effective Rotor Count 4; (21)Conformer Sampling RMSD 0.6; (22)CID Conformer Count 9.
You can still convert the following datas into molecular structure:
(1) SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)NN)C=C1S(=O)(=O)NN
(2) InChI: InChI=1S/C10H12N4O4S2/c11-13-19(15,16)9-3-1-7-5-10(20(17,
18)14-12)4-2-8(7)6-9/h1-6,13-14H,11-12H2
(3) InChIKey: PVXKWNACCHLGEO-UHFFFAOYSA-N