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CAS Number: 70735-79-4
4-acetylbenzo[d]oxazol-2(3H)-one

Structure

 4-acetylbenzo[d]oxazol-2(3H)-one
Name: 4-acetylbenzo[d]oxazol-2(3H)-one
Synonyms:
General Information
Product Number: 70735794

CAS Registry Number 70735-79-4
Name:
2(3H)?-?Benzoxazolone, 4-?acetyl-
2-Benzoxazolinone, 4-acetyl- (6CI)
4-Acetyl-2(3H)-benzoxazolone

 

Chemical Formula: C9H7NO3
Exact Mass: 177.04
Molecular Weight: 177.16
m/z: 177.04 (100.0%), 178.05 (9.9%), 179.05 (1.1%)

 

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

InChI Key:FZAQRVWPQCXSPC-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=C2C(=CC=C1)OC(=O)N2

 

Thermal Properties Value Condition Note
Melting Point 210-211 °C Solv: methanol (67-56-1) (3)CAS
Melting Point 203-204 °C   (4)CAS
Melting Point 202-204 °C Solv: water (7732-18-5) (3)CAS
Melting Point 202-204 °C   (4)CAS

Specification

98%
References
  1. (3) Kluge, Michael; Journal of Natural Products 1998, V61(6), P821-822 CAPLUS
  2. (4) Butenandt, Adolf; Archives of Biochemistry and Biophysics 1957, V69, P100-5 CAPLUS
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