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3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

CAS: 937600-24-3

Formula: C13H12N2O3

SMILES: OC(=O)C1=C2C(ON=C2C2CC2)=NC(=C1)C1CC1

IUPAC: 3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

InChI: InChI=1S/C13H12N2O3/c16-13(17)8-5-9(6-1-2-6)14-12-10(8)11(15-18-12)7-3-4-7/h5-7H,1-4H2,(H,16,17)

Composition: C (63.93%), H (4.95%), N (11.47%), O (19.65%)

Molar Mass: 244.25

Atom Count: 30

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 244.084792254
Formal Charge 0
FSP3 0.46
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey KRFAJRBTNJNHFD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.86
Topological Polar Surface Area 76.22
Polarizability 24.09
Ring Count 4
Rotatable Bond Count 3

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Crea-Chim UAB
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95% <7 Days 937600-24-3 $416.00$416.00
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