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5-methyl-4-(4-nitrophenoxymethyl)-1,2-oxazole-3-carboxylic acid

5-methyl-4-(4-nitrophenoxymethyl)-1,2-oxazole-3-carboxylic acid

CAS: 938001-10-6

Formula: C12H10N2O6

SMILES: CC1=C(COC2=CC=C(C=C2)[N+]([O-])=O)C(=NO1)C(O)=O

IUPAC: 5-methyl-4-[(4-nitrophenoxy)methyl]-1,2-oxazole-3-carboxylic acid

InChI: InChI=1S/C12H10N2O6/c1-7-10(11(12(15)16)13-20-7)6-19-9-4-2-8(3-5-9)14(17)18/h2-5H,6H2,1H3,(H,15,16)

Composition: C (51.81%), H (3.62%), N (10.07%), O (34.50%)

Molar Mass: 278.22

Atom Count: 30

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 278.05388605
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey XJQLYKNPQGXCIW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.93
Topological Polar Surface Area 115.7
Polarizability 24.62
Ring Count 2
Rotatable Bond Count 5

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Kinentia Biosciences LLC
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Crea-Chim UAB
Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 938001-10-6 $127.40$127.40
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