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(3S)-7-hydroxy-6-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

(3S)-7-hydroxy-6-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Formula: C10H10N2O5

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

IUPAC: (3S)-7-hydroxy-6-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

InChI: InChI=1S/C10H10N2O5/c13-9-3-6-4-11-7(10(14)15)1-5(6)2-8(9)12(16)17/h2-3,7,11,13H,1,4H2,(H,14,15)/t7-/m0/s1

Composition: C (50.42%), H (4.23%), N (11.76%), O (33.58%)

Molar Mass: 238.199

Atom Count: 27

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 238.05897143
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey LPDMEZPQPQBQJD-ZETCQYMHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.75
Topological Polar Surface Area 112.7
Polarizability 21.63
Ring Count 2
Rotatable Bond Count 2

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Purity (%)
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Struchem co.,ltd
Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C10H10N2O5 $13,920.00-$9,360.00$9,360.00$13,920.00
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