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

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

CAS: 350014-18-5

Formula: C11H13NO3

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

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

InChI: InChI=1/C11H13NO3/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

Composition: C (63.76%), H (6.32%), N (6.76%), O (23.16%)

Molar Mass: 207.229

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 207.089543283
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey HWLKUJXDHHWAIQ-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
95% <5 Days 350014-18-5 $960.00-$1,320.00$960.00$1,320.00
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