1,2-benzoxazole-3-carboxylic acid

1,2-benzoxazole-3-carboxylic acid

CAS: 28691-47-6

Formula: C8H5NO3

SMILES: OC(=O)C1=NOC2=CC=CC=C12

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

InChI: InChI=1S/C8H5NO3/c10-8(11)7-5-3-1-2-4-6(5)12-9-7/h1-4H,(H,10,11)

Composition: C (58.90%), H (3.09%), N (8.59%), O (29.42%)

Molar Mass: 163.132

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	163.026943025
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VPYXATIIMHQAPR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.71
Topological Polar Surface Area	63.33
Polarizability	16.19
Ring Count	2
Rotatable Bond Count	1

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