Allyl Cyanoacetate

CAT: 0127-OR1012235-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1012235-01Size:5 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

13361-32-5

MDL Number

MFCD00013817

Purity

99%

Smiles

C=CCOC(=O)CC#N

Chemical Information

Allyl cyanoacetate

CAS Number	13361-32-5
PubChem CID	25919
IUPAC Name	prop-2-enyl 2-cyanoacetate
Molecular Formula	C6H7NO2
Molecular Weight	125.13
XLogP	0.6
Topological Polar Surface Area	50.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	154

SMILES

C=CCOC(=O)CC#N

InChI

InChI=1S/C6H7NO2/c1-2-5-9-6(8)3-4-7/h2H,1,3,5H2

InChIKey

WXKCRCGKCOKJEF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13361-32-5

CID: 25919

Formula: C6H7NO2

MW: 125.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	125.13
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	125.047678466
Monoisotopic Mass	125.047678466
Topological Polar Surface Area	50.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	154
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
sc-227226	Allyl cyanoacetate
FM157807-01	Methyl cyanoacetate
TRC-P238120-100MG	Pentachlorophenyl Cyanoacetate
sc-358258	Isobutyryl cyanoacetate
FS171434	Sodium cyanoacetate
sc-486985	Propyl Cyanoacetate
15002-62	Ethyl Cyanoacetate
CCA68811	Cyclohexyl cyanoacetate
582092	Decyl cyanoacetate
sc-227338	Benzyl cyanoacetate