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methyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride

methyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride

CAS: 672310-19-9

Formula: C11H14ClNO3

SMILES: Cl.COC(=O)C1NCCC2=C1C=CC(O)=C2

IUPAC: methyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride

InChI: InChI=1/C11H13NO3.ClH/c1-15-11(14)10-9-3-2-8(13)6-7(9)4-5-12-10;/h2-3,6,10,12-13H,4-5H2,1H3;1H

Composition: C (54.22%), H (5.79%), Cl (14.55%), N (5.75%), O (19.70%)

Molar Mass: 243.69

Atom Count: 30

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 243.066221
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey HXDVRGIRDFSOGY-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.2
Topological Polar Surface Area 58.56
Polarizability 21.63
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 672310-19-9 $204.28-$733.90$204.28$733.90
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