methyl 2-methyl-1,3-benzoxazole-5-carboxylate

methyl 2-methyl-1,3-benzoxazole-5-carboxylate

CAS: 136663-21-3

Formula: C10H9NO3

SMILES: COC(=O)C1=CC=C2OC(C)=NC2=C1

IUPAC: methyl 2-methyl-1,3-benzoxazole-5-carboxylate

InChI: InChI=1S/C10H9NO3/c1-6-11-8-5-7(10(12)13-2)3-4-9(8)14-6/h3-5H,1-2H3

Composition: C (62.82%), H (4.75%), N (7.33%), O (25.10%)

Molar Mass: 191.186

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	191.058243154
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	UFLDNRAXHGPDOD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.19
Topological Polar Surface Area	52.33
Polarizability	20.01
Ring Count	2
Rotatable Bond Count	2

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