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About This Item
Empirical Formula (Hill Notation):
C7H8N2O
CAS Number:
Molecular Weight:
136.15
Flavis number:
14.082
PubChem Substance ID:
UNSPSC Code:
12164502
EC Number:
245-889-8
MDL number:
InChI key
QUNOTZOHYZZWKQ-UHFFFAOYSA-N
InChI
1S/C7H8N2O/c1-5-7(6(2)10)9-4-3-8-5/h3-4H,1-2H3
SMILES string
CC(=O)c1nccnc1C
biological source
synthetic
assay
≥98%
refractive index
n20/D 1.521 (lit.)
bp
90 °C/20 mmHg (lit.)
density
1.114 g/mL at 25 °C (lit.)
application(s)
flavors and fragrances
organoleptic
vegetable; nutty
Features and Benefits
Roasted, nutty, vegetable, toasted grain
Regulatory Information
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