Methyl phenanthrene-9-carboxylate supplier

Name
methyl phenanthrene-9-carboxylate
EINECS
CAS No. 1217-49-8
Article Data3
CAS DataBase
Density 1.208g/cm³
Solubility
Melting Point
Formula C₁₆H₁₂O₂
Boiling Point 405.4°Cat760mmHg
Molecular Weight 236.27
Flash Point 194.3°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 9-(Carbomethoxy)phenanthrene;Methyl 9-phenanthroate;Methyl phenanthrene-9-carboxylate;NSC 17522;
PSA 26.30000
LogP 3.77960

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.

Product Name

methyl phenanthrene-9-carboxylate

Methyl phenanthrene-9-carboxylate Specification

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