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Substance Name: 1,2-Benzopyran
RN: 254-04-6
UNII: 7U3W6XRV5U
InChIKey: KYNSBQPICQTCGU-UHFFFAOYSA-N

Note

  • From Calyptranthes tricona.

Molecular Formula

  • C9-H8-O

Molecular Weight

  • 132.161
 
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Names and Synonyms

Name of Substance

  • 1,2-Benzopyran

Synonyms

  • 1,2-Benzopyran
  • 1,2-Chromene
  • 2H-Chromene
  • 5-17-02-00019 (Beilstein Handbook Reference)
  • Benzopyran (6CI)
  • BRN 0109871
  • delta-3-Chromene
  • UNII-7U3W6XRV5U

Systematic Name

  • 2H-1-Benzopyran

Registry Numbers

CAS Registry Number

  • 254-04-6

FDA UNII

  • 7U3W6XRV5U

System Generated Number

  • 0000254046

Structure Descriptors

InChI

1S/C9H8O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-6H,7H2

InChIKey

KYNSBQPICQTCGU-UHFFFAOYSA-N

Smiles

c12c(cccc1)OCC=C2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 81, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 2.780 (none)   EST
Atmospheric OH Rate Constant 8.23E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.