Ethyl 2-Isocyanatopropanoate - CAS 13794-28-0

Catalog:	BB008687
Product Name:	Ethyl 2-Isocyanatopropanoate
CAS:	13794-28-0
Synonyms:	2-isocyanatopropanoic acid ethyl ester; ethyl 2-isocyanatopropanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-isocyanatopropanoate
Description:	Ethyl 2-Isocyanatopropanoate (CAS# 13794-28-0) is a useful research chemical.
Molecular Weight:	143.14
Molecular Formula:	C6H9NO3
Canonical SMILES:	CCOC(=O)C(C)N=C=O
InChI:	InChI=1S/C6H9NO3/c1-3-10-6(9)5(2)7-4-8/h5H,3H2,1-2H3
InChI Key:	PFIQRPNWLUAMOF-UHFFFAOYSA-N
Boiling Point:	166.1 °C at 760 mmHg
MDL:	MFCD00078449
LogP:	0.27380

Publication Number	Title	Priority Date
CN-107876092-A	The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate	20171124
CN-107417719-A	A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate	20170508
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EP-3230267-B1	Five-membered c-n linked arylsulfide and arylsulfoxide derivatives as pesticides	20141211

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Related Functional Groups

Carbonyl Compounds

[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[17432-37-0]
2,3,5,6-Tetramethylbenzaldehyde

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Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.058243149
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	143.058243149
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.7
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9