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5-methyl-1,3-oxazole-4-carboxylic acid

5-methyl-1,3-oxazole-4-carboxylic acid

CAS: 103879-58-9

Formula: C5H5NO3

SMILES: CC1=C(N=CO1)C(O)=O

IUPAC: 5-methyl-1,3-oxazole-4-carboxylic acid

InChI: InChI=1S/C5H5NO3/c1-3-4(5(7)8)6-2-9-3/h2H,1H3,(H,7,8)

Composition: C (47.25%), H (3.97%), N (11.02%), O (37.76%)

Molar Mass: 127.099

Atom Count: 14

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 127.026943025
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QIACATCUODRSLS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 28.8
Topological Polar Surface Area 63.33
Polarizability 10.6
Ring Count 1
Rotatable Bond Count 1

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