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2-methyl-1,3-oxazole-4,5-dicarboxylic acid

2-methyl-1,3-oxazole-4,5-dicarboxylic acid

CAS: 855404-45-4

Formula: C6H5NO5

SMILES: CC1=NC(C(O)=O)=C(O1)C(O)=O

IUPAC: 2-methyl-1,3-oxazole-4,5-dicarboxylic acid

InChI: InChI=1S/C6H5NO5/c1-2-7-3(5(8)9)4(12-2)6(10)11/h1H3,(H,8,9)(H,10,11)

Composition: C (42.12%), H (2.95%), N (8.19%), O (46.75%)

Molar Mass: 171.108

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 171.016772265
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey OIYQJZAGTOCYLA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.23
Topological Polar Surface Area 100.63
Polarizability 13.15
Ring Count 1
Rotatable Bond Count 2

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