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4,5-bis(hydroxymethyl)-2-(²H?)methylpyridin-3-ol hydrochloride

4,5-bis(hydroxymethyl)-2-(²H?)methylpyridin-3-ol hydrochloride

CAS: 1189921-12-7

Formula: C8H12ClNO3

SMILES: Cl.[2H]C([2H])([2H])C1=NC=C(CO)C(CO)=C1O

IUPAC: 4,5-bis(hydroxymethyl)-2-(²H?)methylpyridin-3-ol hydrochloride

InChI: InChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H/i1D3;

Composition: C (46.05%), H (4.35%), [2H] (2.90%), Cl (16.99%), N (6.71%), O (23.00%)

Molar Mass: 208.66

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 208.0694012
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey ZUFQODAHGAHPFQ-NIIDSAIPSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.11
Topological Polar Surface Area 73.58
Polarizability 16.76
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1189921-12-7 $122.40-$986.34$122.40$986.34
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