Home Other Building Blocks Ethyl (s)-4-cyano-3-hydroxybutyrate

Ethyl (s)-4-cyano-3-hydroxybutyrate

CAS No.:
312745-91-8
Catalog Number:
AG0034TT
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$19
- +
5g
97%
In Stock USA
United States
$69
- +
10g
97%
In Stock USA
United States
$119
- +
25g
97%
In Stock USA
United States
$225
- +
100g
97%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG0034TT
Chemical Name:
Ethyl (s)-4-cyano-3-hydroxybutyrate
CAS Number:
312745-91-8
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
MDL Number:
MFCD00672878
IUPAC Name:
ethyl (3S)-4-cyano-3-hydroxybutanoate
InChI:
InChI=1S/C7H11NO3/c1-2-11-7(10)5-6(9)3-4-8/h6,9H,2-3,5H2,1H3/t6-/m0/s1
InChI Key:
LOQFROBMBSKWQY-LURJTMIESA-N
SMILES:
CCOC(=O)C[C@H](CC#N)O
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
157.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
157.169g/mol
Monoisotopic Mass:
157.074g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties