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3-[2-(²H?)methoxyphenoxy]propane-1,2-diol

3-[2-(²H?)methoxyphenoxy]propane-1,2-diol

CAS: 1189924-85-3

Formula: C10H14O4

SMILES: [2H]C([2H])([2H])OC1=C(OCC(O)CO)C=CC=C1

IUPAC: 3-[2-(²H?)methoxyphenoxy]propane-1,2-diol

InChI: InChI=1/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3/i1D3

Composition: C (59.69%), H (5.51%), [2H] (3.00%), O (31.80%)

Molar Mass: 201.236

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 201.108039169
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey HSRJKNPTNIJEKV-FIBGUPNXNA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.24
Topological Polar Surface Area 58.92
Polarizability 20.31
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1189924-85-3 $156.06-$1,221.96$156.06$1,221.96
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