Home Other Building Blocks Ethyl 2-cyano-3-methylhexanoate

Ethyl 2-cyano-3-methylhexanoate

CAS No.:
19823-28-0
Catalog Number:
AG002BDY
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$170
- +
5g
95%
1 week
United States
$469
- +
Product Description
Catalog Number:
AG002BDY
Chemical Name:
Ethyl 2-cyano-3-methylhexanoate
CAS Number:
19823-28-0
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
MDL Number:
MFCD00799272
IUPAC Name:
ethyl 2-cyano-3-methylhexanoate
InChI:
InChI=1S/C10H17NO2/c1-4-6-8(3)9(7-11)10(12)13-5-2/h8-9H,4-6H2,1-3H3
InChI Key:
FIJVOSSCAUGKQY-UHFFFAOYSA-N
SMILES:
CCCC(C(C(=O)OCC)C#N)C
EC Number:
243-352-2
NSC Number:
46918
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.126g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.251g/mol
Monoisotopic Mass:
183.126g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties