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methyl 1,3-benzoxazole-5-carboxylate

methyl 1,3-benzoxazole-5-carboxylate

CAS: 924869-17-0

Formula: C9H7NO3

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

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

InChI: InChI=1S/C9H7NO3/c1-12-9(11)6-2-3-8-7(4-6)10-5-13-8/h2-5H,1H3

Composition: C (61.02%), H (3.98%), N (7.91%), O (27.09%)

Molar Mass: 177.159

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 177.042593089
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey VHLBJWCXFIGALN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.75
Topological Polar Surface Area 52.33
Polarizability 18.25
Ring Count 2
Rotatable Bond Count 2

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