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Cas Database

Name	Methyl phenanthrene-9-carboxylate	EINECS	N/A
CAS No.	1217-49-8	Density	1.208g/cm³
PSA	26.30000	LogP	3.77960
Solubility	N/A	Melting Point	N/A
Formula	C₁₆H₁₂O₂	Boiling Point	405.4°Cat760mmHg
Molecular Weight	236.27	Flash Point	194.3°C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	9-(Carbomethoxy)phenanthrene;Methyl 9-phenanthroate;Methyl phenanthrene-9-carboxylate;NSC 17522;	Article Data	3

Methyl phenanthrene-9-carboxylate Specification

The Methyl phenanthrene-9-carboxylate with cas registry number of 1217-49-8, has IUPAC name is methyl phenanthrene-9-carboxylate. And it is also called Methyl 9-phenanthroate.

Physical properties about this chemical are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.93; (4)ACD/LogD (pH 7.4): -1.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.53 Å²; (13)Enthalpy of Vaporization: 61.16 kJ/mol; (14)Vapour Pressure: 4.45E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(c(c1)C(=O)[O-])O.c1ccc(c(c1)C(=O)[O-])O.[Pb+2];
(2)InChI: InChI=1/2C7H6O3.Pb/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2;
(3)InChIKey: CNVULGHYDPMIHD-NUQVWONBAH;
(4)Std. InChI: InChI=1S/2C7H6O3.Pb/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2;
(5)Std. InChIKey: CNVULGHYDPMIHD-UHFFFAOYSA-L.

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