Home Other Building Blocks (S)-(-)-2-Isocyanato-4-methylvaleric acid methyl ester

(S)-(-)-2-Isocyanato-4-methylvaleric acid methyl ester

CAS No.:
39570-63-3
Catalog Number:
AG003CDP
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$150
- +
5g
95%
In Stock USA
United States
$450
- +
10g
95%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG003CDP
Chemical Name:
(S)-(-)-2-Isocyanato-4-methylvaleric acid methyl ester
CAS Number:
39570-63-3
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD00191532
IUPAC Name:
methyl (2S)-2-isocyanato-4-methylpentanoate
InChI:
InChI=1S/C8H13NO3/c1-6(2)4-7(9-5-10)8(11)12-3/h6-7H,4H2,1-3H3/t7-/m0/s1
InChI Key:
UWFLIWPVRTVDNO-ZETCQYMHSA-N
SMILES:
O=C=N[C@H](C(=O)OC)CC(C)C
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties