3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

CAS: 508182-19-2

Formula: C11H11NO4

SMILES: COC1=C(C=CC=C1)C1=NOC(C1)C(O)=O

IUPAC: 3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

InChI: InChI=1/C11H11NO4/c1-15-9-5-3-2-4-7(9)8-6-10(11(13)14)16-12-8/h2-5,10H,6H2,1H3,(H,13,14)

Composition: C (59.73%), H (5.01%), N (6.33%), O (28.93%)

Molar Mass: 221.212

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	221.068807838
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	DZQPCQZVKAAAJK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.2
Topological Polar Surface Area	68.12
Polarizability	21.47
Ring Count	2
Rotatable Bond Count	3

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