3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoic acid

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoic acid

CAS: 705962-58-9

Formula: C13H13NO3

SMILES: CC1=CC=C(C=C1)C1=CN=C(CCC(O)=O)O1

IUPAC: 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoic acid

InChI: InChI=1S/C13H13NO3/c1-9-2-4-10(5-3-9)11-8-14-12(17-11)6-7-13(15)16/h2-5,8H,6-7H2,1H3,(H,15,16)

Composition: C (67.52%), H (5.67%), N (6.06%), O (20.76%)

Molar Mass: 231.251

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	231.089543283
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KUHSHVDXDQXTQG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.16
Topological Polar Surface Area	63.33
Polarizability	25.06
Ring Count	2
Rotatable Bond Count	4

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