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

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

CAS: 924862-20-4

Formula: C11H11NO3

SMILES: CCC1=NC2=CC(=CC=C2O1)C(=O)OC

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

InChI: InChI=1S/C11H11NO3/c1-3-10-12-8-6-7(11(13)14-2)4-5-9(8)15-10/h4-6H,3H2,1-2H3

Composition: C (64.38%), H (5.40%), N (6.83%), O (23.39%)

Molar Mass: 205.213

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 205.073893218
Formal Charge 0
FSP3 0.27
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey WXMLBUAKZYDTKG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.82
Topological Polar Surface Area 52.33
Polarizability 21.85
Ring Count 2
Rotatable Bond Count 3

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95% <2 Days 924862-20-4 $51.35-$674.07$51.35$63.37$86.31$143.12$225.06$674.07
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