2-cyanoethyl acetate 5325-93-9 CAS NO.5325-93-9

Min.Order: 1 Gram
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Product Details

Keywords

2-cyanoethyl acetate
5325-93-9
98%

Quick Details

ProName: 2-cyanoethyl acetate 5325-93-9
CasNo: 5325-93-9
Molecular Formula: C5H7NO2
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 10 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

Identification and Related Records
【Name】
2-cyanoethyl acetate
【CAS Registry number】
5325-93-9
【Synonyms】
2-cyanoethyl acetate
NSC235
AC1Q4SES
AC1L56B7
HYDRACRYLONITRILE, ACETATE
NSC-235
AR-1E0863
【Molecular Formula】
C5H7NO2 (Products with the same molecular formula)
【Molecular Weight】
113.1146
【Inchi】
InChI=1/C5H7NO2/c1-5(7)8-4-2-3-6/h2,4H2,1H3
【Canonical SMILES】
CC(=O)OCCC#N
【MOL File】
5325-93-9.mol
Chemical and Physical Properties
【Density】
1.047g/cm3
【Boiling Point】
207.8°C at 760 mmHg
【Refractive Index】
1.412
【Flash Point】
86.4°C
【Computed Properties】
Molecular Weight:113.11458 [g/mol]
Molecular Formula:C5H7NO2
XLogP3-AA:-0.2
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:3
Exact Mass:113.047678
MonoIsotopic Mass:113.047678
Topological Polar Surface Area:50.1
Heavy Atom Count:8
Formal Charge:0
Complexity:122
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
Feature 3D Acceptor Count:2
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:12

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