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125328-83-8 molecular structure
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[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]phosphonic acid lithium

ChemBase ID: 131668
Molecular Formular: C10H9LiO6P
Molecular Mass: 263.089621
Monoisotopic Mass: 263.02967919
SMILES and InChIs

SMILES:
[Li].Cc1cc(=O)oc2c1ccc(c2)OP(=O)(O)O
Canonical SMILES:
O=c1cc(C)c2c(o1)cc(cc2)OP(=O)(O)O.[Li]
InChI:
InChI=1S/C10H9O6P.Li/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14;/h2-5H,1H3,(H2,12,13,14);
InChIKey:
HODWERLNONSXQE-UHFFFAOYSA-N

Cite this record

CBID:131668 http://www.chembase.cn/molecule-131668.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]phosphonic acid lithium
IUPAC Traditional name
(4-methyl-2-oxochromen-7-yl)oxyphosphonic acid lithium
Synonyms
4-Methylumbelliferyl phosphate dilithium salt
4-甲基伞形酮磷酸酯 二锂盐
CAS Number
125328-83-8
MDL Number
MFCD00040649
PubChem SID
162225945
PubChem CID
71308463

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
M8276 external link Add to cart Please log in.
Data Source Data ID
PubChem 71308463 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7821348  H Acceptors
H Donor LogD (pH = 5.5) -1.2559819 
LogD (pH = 7.4) -1.98815  Log P 1.1253238 
Molar Refractivity 58.6844 cm3 Polarizability 22.577282 Å3
Polar Surface Area 93.06 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
German water hazard class
3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - M8276 external link
Substrates
磷酸酶的荧光底物。

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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