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β-Carboline-1-propanoic acid

CAT: 1407-AB2501Size: 20 mgDry Ice: NoHazardous: No
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CAT#:1407-AB2501Size:20 mg
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CAS Number
89915-39-9
Purity
98% (HPLC)
Molecular Formula
C14H12N2O2
Molecular Weight
240.26394

Chemical Information

3-(9H-pyrido(3,4-b)indol-1-yl)propanoic acid

Beta-carboline-1-propionic acid is a harmala alkaloid.

CAS Number89915-39-9
PubChem CID5375436
IUPAC Name3-(9H-pyrido[3,4-b]indol-1-yl)propanoic acid
Molecular FormulaC14H12N2O2
Molecular Weight240.26
XLogP2.1
Topological Polar Surface Area66
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity321
SMILES
C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)CCC(=O)O
InChI
InChI=1S/C14H12N2O2/c17-13(18)6-5-12-14-10(7-8-15-12)9-3-1-2-4-11(9)16-14/h1-4,7-8,16H,5-6H2,(H,17,18)
InChIKey
CNUHEVWYPKFJHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(9H-pyrido(3,4-b)indol-1-yl)propanoic acid
CAS: 89915-39-9
CID: 5375436
Formula: C14H12N2O2
MW: 240.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.26
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass240.089877630
Monoisotopic Mass240.089877630
Topological Polar Surface Area66 Ų
Heavy Atom Count18
Formal Charge0
Complexity321
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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