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About This Item
Empirical Formula (Hill Notation):
13CC7H8O3
Molecular Weight:
153.14
UNSPSC Code:
12352114
PubChem Substance ID:
MDL number:
Isotopic purity:
99 atom % 13C
Mass shift:
M+1
Form:
solid
isotopic purity
99 atom % 13C
form
solid
bp
170 °C/15 mmHg (lit.)
mp
81-83 °C (lit.)
mass shift
M+1
SMILES string
COc1cc(ccc1O)[13CH]=O
InChI
1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3/i5+1
InChI key
MWOOGOJBHIARFG-HOSYLAQJSA-N
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2
Storage Class
11 - Combustible Solids
wgk
WGK 1
flash_point_f
319.6 - 321.4 °F - closed cup
flash_point_c
159.8 - 160.8 °C - closed cup
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