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

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

CAS: 1018143-56-0

Formula: C12H13NO5

SMILES: COC1=CC=C(C=C1OC)C1=NOC(C1)C(O)=O

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

InChI: InChI=1/C12H13NO5/c1-16-9-4-3-7(5-10(9)17-2)8-6-11(12(14)15)18-13-8/h3-5,11H,6H2,1-2H3,(H,14,15)

Composition: C (57.37%), H (5.22%), N (5.58%), O (31.84%)

Molar Mass: 251.238

Atom Count: 31

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	251.079372523
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	HLGNBTCMVOSESQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.66
Topological Polar Surface Area	77.35
Polarizability	24.02
Ring Count	2
Rotatable Bond Count	4

Suppliers

Crea-Chim UAB

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	1018143-56-0		$187.20$187.20