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16089-48-8 molecular structure
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potassium 3-phenylprop-2-enoate

ChemBase ID: 111198
Molecular Formular: C9H7KO2
Molecular Mass: 186.24898
Monoisotopic Mass: 186.00831114
SMILES and InChIs

SMILES:
[K+].[O-]C(=O)/C=C/c1ccccc1
Canonical SMILES:
[O-]C(=O)/C=C/c1ccccc1.[K+]
InChI:
InChI=1S/C9H8O2.K/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-7H,(H,10,11);/q;+1/p-1
InChIKey:
IWHVCHNCTHGORM-UHFFFAOYSA-M

Cite this record

CBID:111198 http://www.chembase.cn/molecule-111198.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium 3-phenylprop-2-enoate
IUPAC Traditional name
potassium ion cinnamate
Synonyms
POTASSIUM CINNAMATE
CAS Number
16089-48-8
PubChem SID
162096565
PubChem CID
23675459

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05218138 external link Add to cart Please log in.
Data Source Data ID
PubChem 23675459 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Donor LogD (pH = 5.5) 1.2809435 
LogD (pH = 7.4) -0.49676913  Log P 2.1360862 
Molar Refractivity 53.897 cm3 Polarizability 16.08235 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 4.709232 
H Acceptors

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05218138 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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