Home Other Building Blocks Methyl 4-(cyanomethyl)benzoate

Methyl 4-(cyanomethyl)benzoate

CAS No.:
76469-88-0
Catalog Number:
AG003574
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$24
- +
5g
98%
In Stock USA
United States
$75
- +
10g
98%
In Stock USA
United States
$125
- +
25g
98%
In Stock USA
United States
$250
- +
100g
98%
In Stock USA
United States
$625
- +
Product Description
Catalog Number:
AG003574
Chemical Name:
Methyl 4-(cyanomethyl)benzoate
CAS Number:
76469-88-0
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00060695
IUPAC Name:
methyl 4-(cyanomethyl)benzoate
InChI:
InChI=1S/C10H9NO2/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h2-5H,6H2,1H3
InChI Key:
XRZGMNGGCZTNGE-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)C(=O)OC
EC Number:
616-338-2
Properties
Complexity:
220  
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:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties