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sodium 6-methoxy-1,3-benzoxazole-2-carboxylate

sodium 6-methoxy-1,3-benzoxazole-2-carboxylate

CAS: 2305079-68-7

Formula: C9H6NNaO4

SMILES: [Na+].COC1=CC=C2N=C(OC2=C1)C([O-])=O

IUPAC: sodium 6-methoxy-1,3-benzoxazole-2-carboxylate

InChI: InChI=1S/C9H7NO4.Na/c1-13-5-2-3-6-7(4-5)14-8(10-6)9(11)12;/h2-4H,1H3,(H,11,12);/q;+1/p-1

Composition: C (50.25%), H (2.81%), N (6.51%), Na (10.69%), O (29.75%)

Molar Mass: 215.14

Atom Count: 21

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 215.01945196
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey QVROEQPPLGOYPT-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 56.76
Topological Polar Surface Area 75.39
Polarizability 18.62
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2305079-68-7 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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