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5-methoxy-1,3-benzoxazole-2-carboxylic acid

5-methoxy-1,3-benzoxazole-2-carboxylic acid

CAS: 49559-68-4

Formula: C9H7NO4

SMILES: COC1=CC=C2OC(=NC2=C1)C(O)=O

IUPAC: 5-methoxy-1,3-benzoxazole-2-carboxylic acid

InChI: InChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)10-8(14-7)9(11)12/h2-4H,1H3,(H,11,12)

Composition: C (55.96%), H (3.65%), N (7.25%), O (33.13%)

Molar Mass: 193.158

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 193.037507709
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey SNQUKJWKYRHONV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.92
Topological Polar Surface Area 72.56
Polarizability 18.73
Ring Count 2
Rotatable Bond Count 2

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