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2-(1,3-oxazol-5-yl)benzoic acid

2-(1,3-oxazol-5-yl)benzoic acid

CAS: 169508-94-5

Formula: C10H7NO3

SMILES: OC(=O)C1=C(C=CC=C1)C1=CN=CO1

IUPAC: 2-(1,3-oxazol-5-yl)benzoic acid

InChI: InChI=1S/C10H7NO3/c12-10(13)8-4-2-1-3-7(8)9-5-11-6-14-9/h1-6H,(H,12,13)

Composition: C (63.49%), H (3.73%), N (7.40%), O (25.37%)

Molar Mass: 189.17

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 189.042593089
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FFTGSVWPWKVLMS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.04
Topological Polar Surface Area 63.33
Polarizability 19.59
Ring Count 2
Rotatable Bond Count 2

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