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Convolvine

CAT: 0013-GTR19231674-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231674-02Size:5 mg
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Description
Convolvine serves as a high-purity reference standard for analytical research. It is utilized in phytochemical and pharmacological studies, including in vitro assays to investigate its potential biological activities.
CAS Number
537-30-4
Smiles
O (C (=O) C1=CC (OC) =C (OC) C=C1) [C@H]2C[C@@]3 (N[C@] (C2) (CC3) [H]) [H]
Molecular Formula
C16H21NO4
Molecular Weight
291.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate

Convolvine is a methoxybenzoic acid.

CAS Number537-30-4
PubChem CID279064
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl 3,4-dimethoxybenzoate
Molecular FormulaC16H21NO4
Molecular Weight291.34
XLogP2.7
Topological Polar Surface Area56.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity363
SMILES
COC1=C(C=C(C=C1)C(=O)OC2CC3CCC(C2)N3)OC
InChI
InChI=1S/C16H21NO4/c1-19-14-6-3-10(7-15(14)20-2)16(18)21-13-8-11-4-5-12(9-13)17-11/h3,6-7,11-13,17H,4-5,8-9H2,1-2H3
InChIKey
HDLNHIIKSUHARQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate
CAS: 537-30-4
CID: 279064
Formula: C16H21NO4
MW: 291.34
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.34
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass291.14705815
Monoisotopic Mass291.14705815
Topological Polar Surface Area56.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity363
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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