Methyl cyanoacetate

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Catalog Number
ACM105340
Product Name
Methyl cyanoacetate
Structure
Structure
CAS
105-34-0
Category
Heterocyclic Organic Compound
Description
Liquid
IUPAC Name
methyl 2-cyanoacetate
Molecular Weight
99.09g/mol
Molecular Formula
C4H5NO2
Canonical SMILES
COC(=O)CC#N
InChI
InChI=1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3
InChI Key
ANGDWNBGPBMQHW-UHFFFAOYSA-N
Boiling Point
200.5 °C
Melting Point
-22.5 °C
Complexity
110
Covalently-Bonded Unit Count
1
EC Number
203-288-8
Exact Mass
99.032028g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
0
Heavy Atom Count
7
LogP
-0.47 (LogP)
Monoisotopic Mass
99.032028g/mol
NSC Number
68507;3113
Rotatable Bond Count
2
UNII
A28RI36V30
Vapor Pressure
0.14 mmHg
XLogP3
-0.5
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