- Product Details
Keywords
- 2-cyanoethyl benzoate
- 2-cyanoethyl benzoate
- 5325-95-1
Quick Details
- ProName: 2-cyanoethyl benzoate 5325-95-1
- CasNo: 5325-95-1
- Molecular Formula: C10H9NO2
- 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
Superiority
Details
Identification and Related Records
【Name】
2-cyanoethyl benzoate
【CAS Registry number】
5325-95-1
【Synonyms】
2-cyanoethyl benzoate
NSC237
AC1L56BA
AC1Q66HN
NSC-237
HYDRACRYLONITRILE, BENZOATE
AR-1E0864
【Molecular Formula】
C10H9NO2 (Products with the same molecular formula)
【Molecular Weight】
175.184
【Inchi】
InChI=1/C10H9NO2/c11-7-4-8-13-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
【Canonical SMILES】
C1=CC=C(C=C1)C(=O)OCCC#N
【MOL File】
5325-95-1.mol
Chemical and Physical Properties
【Density】
1.139g/cm3
【Boiling Point】
324.3°C at 760 mmHg
【Refractive Index】
1.526
【Flash Point】
152.3°C
【Computed Properties】
Molecular Weight:175.18396 [g/mol]
Molecular Formula:C10H9NO2
XLogP3:2
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:4
Exact Mass:175.063329
MonoIsotopic Mass:175.063329
Topological Polar Surface Area:50.1
Heavy Atom Count:13
Formal Charge:0
Complexity:210
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
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:47