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L-Porretine

CAT: 0013-GTR19250639Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250639Size:1000 mg
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Description
L-Porretine
CAS Number
74163-81-8
Smiles
OC (=O) [C@@H]1CC2=C (CN1) C=CC=C2
Molecular Formula
C10H11NO2
Molecular Weight
177.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
CAS Number74163-81-8
PubChem CID2733226
IUPAC Name(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Molecular FormulaC10H11NO2
Molecular Weight177.20
XLogP-1.3
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity205
SMILES
C1[C@H](NCC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1
InChIKey
BWKMGYQJPOAASG-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
CAS: 74163-81-8
CID: 2733226
Formula: C10H11NO2
MW: 177.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.20
XLogP3-1.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass177.078978594
Monoisotopic Mass177.078978594
Topological Polar Surface Area49.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity205
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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