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30674-80-7 molecular structure
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1-isocyanatoethyl 2-methylprop-2-enoate

ChemBase ID: 128296
Molecular Formular: C7H9NO3
Molecular Mass: 155.15126
Monoisotopic Mass: 155.05824315
SMILES and InChIs

SMILES:
CC(OC(=O)C(=C)C)N=C=O
Canonical SMILES:
CC(N=C=O)OC(=O)C(=C)C
InChI:
InChI=1S/C7H9NO3/c1-5(2)7(10)11-6(3)8-4-9/h6H,1H2,2-3H3
InChIKey:
SCCOFHZVHFIXLY-UHFFFAOYSA-N

Cite this record

CBID:128296 http://www.chembase.cn/molecule-128296.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-isocyanatoethyl 2-methylprop-2-enoate
IUPAC Traditional name
1-isocyanatoethyl 2-methylprop-2-enoate
Synonyms
Methacryloyloxyethyl isocyanate
CAS Number
30674-80-7
PubChem SID
162222604
PubChem CID
19763962
Chemspider ID
10607004
Wikipedia Title
Methacryloyloxyethyl_isocyanate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.711548  H Acceptors
H Donor LogD (pH = 5.5) 1.4332145 
LogD (pH = 7.4) 1.4332145  Log P 1.4332145 
Molar Refractivity 37.4386 cm3 Polarizability 14.716203 Å3
Polar Surface Area 55.73 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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