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6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

CAS: 900136-96-1

Formula: C12H8N2O4

SMILES: CC1=NOC2=NC(=CC(C(O)=O)=C12)C1=CC=CO1

IUPAC: 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

InChI: InChI=1S/C12H8N2O4/c1-6-10-7(12(15)16)5-8(9-3-2-4-17-9)13-11(10)18-14-6/h2-5H,1H3,(H,15,16)

Composition: C (59.02%), H (3.30%), N (11.47%), O (26.21%)

Molar Mass: 244.206

Atom Count: 26

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 244.048406746
Formal Charge 0
FSP3 0.08
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey CDSYAVVUQVMVKQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.63
Topological Polar Surface Area 89.36
Polarizability 24.23
Ring Count 3
Rotatable Bond Count 2

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