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35142-05-3

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Basic Information
CAS No.: 35142-05-3
Name: aristolic acid
Article Data: 4
Molecular Structure:
Molecular Structure of 35142-05-3 (aristolic acid)
Formula: C17H12O5
Molecular Weight: 296.29
Synonyms: denitroaristolochic acid;1-carboxy-3,4-methylenedioxy-8-methoxyphenanthrene;3,4-methylenedioxy-8-methoxy-1-phenanthrenecarboxylic acid;aristofolin E;Aristolic acid;Aristolsaeure I;
Density: 1.442g/cm3
Melting Point: 292°C
Boiling Point: 550.1°C at 760 mmHg
Flash Point: 210.3°C
Safety: An experimental teratogen. Other experimental reproductive effects. Mutation data reported. When heated to decomposition it emits acrid smoke and fumes.
PSA: 64.99000
LogP: 3.42850
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Chemistry

Empirical Formula of Aristolic acid (CAS NO.35142-05-3): C17H12O5
Molecular Weight: 296.2742 g/mol
Index of Refraction: 1.726
Density: 1.442 g/cm3
Flash Point: 210.3 °C
Enthalpy of Vaporization: 87.35 kJ/mol
Boiling Point: 550.1 °C at 760 mmHg
Vapour Pressure: 6.2E-13 mmHg at 25 °C
Structure of Aristolic acid (CAS NO.35142-05-3):
                           
IUPAC Name: 8-Methoxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Canonical SMILES: COC1=CC=CC2=C1C=CC3=C2C4=C(C=C3C(=O)O)OCO4
InChI: InChI=1S/C17H12O5/c1-20-13-4-2-3-10-9(13)5-6-11-12(17(18)19)7-14-16(15(10)11)22-8-21-14/h2-7H,8H2,1H3,(H,18,19)
InChIKey: WNMKOPJJPJHXJX-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-sat 10 µg/plate

     MUREAV    Mutation Research. 206 (1988),447.
2.    

msc-ham:ovr 50 µmol/L

     MUREAV    Mutation Research. 206 (1988),447.

Safety Profile

An experimental teratogen. Other experimental reproductive effects. Mutation data reported. When heated to decomposition Aristolic acid (CAS NO.35142-05-3) emits acrid smoke and fumes.

Specification

 Aristolic acid , its cas register number is 35142-05-3. It also can be called 8-Methoxyphenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid ; and Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy- .