2-methyl-1,3-benzoxazole-6-carboxylic acid

2-methyl-1,3-benzoxazole-6-carboxylic acid

CAS: 13452-14-7

Formula: C9H7NO3

SMILES: CC1=NC2=CC=C(C=C2O1)C(O)=O

IUPAC: 2-methyl-1,3-benzoxazole-6-carboxylic acid

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

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	3
Hydrogen Bond Donor Count	1
InChIKey	GFYDDTFAVDJJAI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.42
Topological Polar Surface Area	63.33
Polarizability	17.93
Ring Count	2
Rotatable Bond Count	1

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