Ethyl isocyanatoacetate

CAT: 0127-OR30501-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR30501-01Size:1 g

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CAS Number

2949-22-6

MDL Number

MFCD00002040

Purity

98%

Smiles

CCOC(=O)CN=C=O

Storage Conditions

Store at 2-8°C

Chemical Information

Ethyl isocyanatoacetate

CAS Number	2949-22-6
PubChem CID	76283
IUPAC Name	ethyl 2-isocyanatoacetate
Molecular Formula	C5H7NO3
Molecular Weight	129.11
XLogP	1.5
Topological Polar Surface Area	55.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	137

SMILES

CCOC(=O)CN=C=O

InChI

InChI=1S/C5H7NO3/c1-2-9-5(8)3-6-4-7/h2-3H2,1H3

InChIKey

DUVOZUPPHBRJJO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2949-22-6

CID: 76283

Formula: C5H7NO3

MW: 129.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	129.11
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	129.042593085
Monoisotopic Mass	129.042593085
Topological Polar Surface Area	55.7 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	137
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC2067	Methyl 4-fluorophenyl-2-isocyanatoacetate
OR18110	Ethyl isocyanoacetate
OR1003496-01	Ethyl ((2-[ethyl (methyl) aminio]ethyl) ) amine
OR1057866-01	Ethyl ethyl (methyl) carbamate
OR1078610-01	Ethyl Phthalyl Ethyl glycolate
OR1089430-01	Ethyl 3-ethyl-5-formylbenzoate
OR1076443-01	Ethyl 4-ethyl-3-oxohexanoate
OR1068962-01	Ethyl 2-ethyl-4-oxocyclopentanecarboxylate
OR1089604-01	Ethyl 3-ethyl-4-formylbenzoate
OR1089356-01	Ethyl 4-ethyl-2-formylbenzoate

Catalog	Name
FE01975-01	Ethyl isocyanatoacetate
RG-E242606-01	Ethyl 2-isocyanatoacetate
E11715-01	Ethyl isocyanatoacetate 97%
sc-227545	Butyl isocyanatoacetate
AR-A05392-01	Methyl 2-Isocyanatoacetate
NEA23861-01	Tert-Butyl 2-isocyanatoacetate
AAA10633-01	Ethyl Laurate (Ethyl Dodecanoate)
TRC-E937355-2.5G	Ethyl Phthalyl Ethyl Glycolate
RG-A261999-01	Ethyl Ethyl-D-Prolinate
TRC-E917385-5G	Ethyl Laurate(Ethyl Dodecanoate)