2-methyl-3-(morpholin-4-yl)benzoic acid

2-methyl-3-(morpholin-4-yl)benzoic acid

CAS: 886501-40-2

Formula: C12H15NO3

SMILES: CC1=C(C=CC=C1N1CCOCC1)C(O)=O

IUPAC: 2-methyl-3-(morpholin-4-yl)benzoic acid

InChI: InChI=1S/C12H15NO3/c1-9-10(12(14)15)3-2-4-11(9)13-5-7-16-8-6-13/h2-4H,5-8H2,1H3,(H,14,15)

Composition: C (65.14%), H (6.83%), N (6.33%), O (21.69%)

Molar Mass: 221.256

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	221.105193347
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	SYRWDAQJCORHSV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.86
Topological Polar Surface Area	49.77
Polarizability	22.91
Ring Count	2
Rotatable Bond Count	2

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95%	<2 Days	886501-40-2		$320.85-$494.11$320.85$494.11