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Aristolochic acid III

CAT: 0931-T82968-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T82968-01Size:5 mg
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CAS Number
7267-92-7
Bioactivity
Aristolochic acid III, a naturally occurring compound, is extracted from Aristolochia debilis leaves [1].
Smiles
O=C(C1=CC2=C(C3=C1C([N+]([O-])=O)=CC4=CC=C(OC)C=C34)OCO2)O
Molecular Formula
C17H11NO7
Molecular Weight
341.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 10-methoxy-6-nitro-

Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 10-methoxy-6-nitro- has been reported in Aristolochia esperanzae, Aristolochia kankauensis, and other organisms with data available.

CAS Number7267-92-7
PubChem CID3084007
IUPAC Name10-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Molecular FormulaC17H11NO7
Molecular Weight341.27
XLogP3.6
Topological Polar Surface Area111
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity550
SMILES
COC1=CC2=C3C(=C(C=C2C=C1)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O
InChI
InChI=1S/C17H11NO7/c1-23-9-3-2-8-4-12(18(21)22)14-11(17(19)20)6-13-16(25-7-24-13)15(14)10(8)5-9/h2-6H,7H2,1H3,(H,19,20)
InChIKey
MYVJZUBEKPWUFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 10-methoxy-6-nitro-
CAS: 7267-92-7
CID: 3084007
Formula: C17H11NO7
MW: 341.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.27
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass341.05355169
Monoisotopic Mass341.05355169
Topological Polar Surface Area111 Ų
Heavy Atom Count25
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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