Synonyms: | Butanedioicacid, (6H-dibenz[c,e][1,2]oxaphosphorin-6-ylmethyl)-, P-oxide;Butanedioicacid, [(6-oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)methyl]- (9CI);9,10-Dihydro-9-oxa-10-phosphaphenanthren-10-oxide itaconic acid adduct;M-Acid;M-Acid (carboxylic acid);Ukanol RD;ZB 101; |
InChI: | InChI=1S/C17H15O6P/c18-16(19)9-11(17(20)21)10-24(22)15-8-4-2-6-13(15)12-5-1-3-7-14(12)23-24/h1-8,11H,9-10H2,(H,18,19)(H,20,21) |
Specification: |
The [(6-Oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)methyl]butanedioic acid with cas registry number of 63562-33-4, has the systematic name of 2-[(6-oxido-6H-dibenzo[c,e][1,2]oxaphosphinin-6-yl)methyl]butanedioic acid. And its IUPAC name is 2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioic acid.
Physical properties about this chemical are: (1)#H bond acceptors: 6; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 88.71 Å2; (5)Index of Refraction: 1.641; (6)Molar Refractivity: 84.32 cm3; (7)Molar Volume: 233.7 cm3; (8)Polarizability: 33.42×10-24cm3; (9)Surface Tension: 71.1 dyne/cm; (10)Enthalpy of Vaporization: 91.04 kJ/mol; (11)Vapour Pressure: 3.26E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(C(=O)O)CP2(=O)Oc3c(c1c2cccc1)cccc3;
(2)InChI: InChI=1/C17H15O6P/c18-16(19)9-11(17(20)21)10-24(22)15-8-4-2-6-13(15)12-5-1-3-7-14(12)23-24/h1-8,11H,9-10H2,(H,18,19)(H,20,21);
(3)InChIKey: XZAXQWXHBDKYJI-UHFFFAOYAP;
(4)Std. InChI: InChI=1S/C17H15O6P/c18-16(19)9-11(17(20)21)10-24(22)15-8-4-2-6-13(15)12-5-1-3-7-14(12)23-24/h1-8,11H,9-10H2,(H,18,19)(H,20,21);
(5)Std. InChIKey: XZAXQWXHBDKYJI-UHFFFAOYSA-N
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