2,6-Dimethylbenzoxazole - CAS 53012-61-6

Catalog:	BB028016
Product Name:	2,6-Dimethylbenzoxazole
CAS:	53012-61-6
Synonyms:	2,6-dimethyl-1,3-benzoxazole; 2,6-dimethyl-1,3-benzoxazole

Technical Data

Patents

Computed Properties

IUPAC Name:	2,6-dimethyl-1,3-benzoxazole
Description:	2,6-Dimethylbenzoxazole (CAS# 53012-61-6 ) is a useful research chemical.
Molecular Weight:	147.17
Molecular Formula:	C9H9NO
Canonical SMILES:	CC1=CC2=C(C=C1)N=C(O2)C
InChI:	InChI=1S/C9H9NO/c1-6-3-4-8-9(5-6)11-7(2)10-8/h3-5H,1-2H3
InChI Key:	VIJYHDMLYXAHEV-UHFFFAOYSA-N
Boiling Point:	224.2 °C at 760 mmHg
Density:	1.113 g/cm³
MDL:	MFCD00629001
LogP:	2.44460

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Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.068413911
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	147.068413911
Rotatable Bond Count:	0
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5