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(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

CAS: 74163-81-8

Formula: C10H11NO2

SMILES: OC(=O)[C@@H]1CC2=CC=CC=C2CN1

IUPAC: (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

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

Composition: C (67.78%), H (6.26%), N (7.90%), O (18.06%)

Molar Mass: 177.203

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 177.078978598
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey BWKMGYQJPOAASG-VIFPVBQESA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.45
Topological Polar Surface Area 49.33
Polarizability 19
Ring Count 2
Rotatable Bond Count 1

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96% <2 Days 74163-81-8 $28.75-$112.70$28.75$43.70$112.70
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