Home Other Building Blocks 2-cyanoethyl benzoate

2-cyanoethyl benzoate

CAS No.:
5325-95-1
Catalog Number:
AG01AC8N
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
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Product Description
Catalog Number:
AG01AC8N
Chemical Name:
2-cyanoethyl benzoate
CAS Number:
5325-95-1
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD26407916
IUPAC Name:
2-cyanoethyl benzoate
InChI:
InChI=1S/C10H9NO2/c11-7-4-8-13-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
InChI Key:
HABHYLALRAEBKY-UHFFFAOYSA-N
SMILES:
N#CCCOC(=O)c1ccccc1
NSC Number:
237
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties