dimethyl-1,3-oxazole-4-carboxylic acid

dimethyl-1,3-oxazole-4-carboxylic acid

CAS: 23000-14-8

Formula: C6H7NO3

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

IUPAC: dimethyl-1,3-oxazole-4-carboxylic acid

InChI: InChI=1S/C6H7NO3/c1-3-5(6(8)9)7-4(2)10-3/h1-2H3,(H,8,9)

Composition: C (51.07%), H (5.00%), N (9.93%), O (34.01%)

Molar Mass: 141.126

Atom Count: 17

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	141.042593089
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LHGRUGVXZLHYKE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.24
Topological Polar Surface Area	63.33
Polarizability	12.33
Ring Count	1
Rotatable Bond Count	1

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