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

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

CAS: 103733-65-9

Formula: C10H11NO2

SMILES: OC(=O)[C@H]1CC2=C(CN1)C=CC=C2

IUPAC: (3R)-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-/m1/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-SECBINFHSA-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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