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About This Item
Linear Formula:
CH3CH2CH(C6H5)COOH
CAS Number:
Molecular Weight:
164.20
EC Number:
201-982-5
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
509876
MDL number:
grade
purum
assay
≥98.0% (T)
bp
270-272 °C (lit.)
mp
39-42 °C (lit.), 39-43 °C
SMILES string
CCC(C(O)=O)c1ccccc1
InChI
1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)
InChI key
OFJWFSNDPCAWDK-UHFFFAOYSA-N
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