3-(3-chloro-1,2-oxazol-5-yl)propanoic acid

3-(3-chloro-1,2-oxazol-5-yl)propanoic acid

CAS: 80403-82-3

Formula: C6H6ClNO3

SMILES: OC(=O)CCC1=CC(Cl)=NO1

IUPAC: 3-(3-chloro-1,2-oxazol-5-yl)propanoic acid

InChI: InChI=1S/C6H6ClNO3/c7-5-3-4(11-8-5)1-2-6(9)10/h3H,1-2H2,(H,9,10)

Composition: C (41.05%), H (3.44%), Cl (20.19%), N (7.98%), O (27.34%)

Molar Mass: 175.57

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	175.0036208
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZGQBVKLPCMHTEI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.31
Topological Polar Surface Area	63.33
Polarizability	14.54
Ring Count	1
Rotatable Bond Count	3

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