Coixol

Catalog Number	ACM532912
CAS	532-91-2
Structure
IUPAC Name	6-Methoxy-3H-1,3-benzoxazol-2-one
Synonyms	6-Methoxy-2,3-dihydrobenzoxazole-2-one
Molecular Weight	165.15
Molecular Formula	C8H7NO3
Canonical SMILES	COC1=CC2=C(C=C1)NC(=O)O2
InChI	InChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10)
InChI Key	MKMCJLMBVKHUMS-UHFFFAOYSA-N
Boiling Point	292.97 °C
Melting Point	151-156 °C (lit.)
Purity	98%
Density	1.345 g/ml
Appearance	Powder
Storage	2-8°C
Complexity	195
Covalently-Bonded Unit Count	1
Exact Mass	165.042593085
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Log P	1.07
Monoisotopic Mass	165.042593085
PSA	55.23000
Refractive Index	1.563
Rotatable Bond Count	1
Topological Polar Surface Area	47.6 Å²

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