Home Other Building Blocks (2S,3S)-2-Isocyanato-3-methylvaleric acid methyl ester

(2S,3S)-2-Isocyanato-3-methylvaleric acid methyl ester

CAS No.:
120219-17-2
Catalog Number:
AG003BP6
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$163
- +
5g
>98.0%(GC)
1 week
United States
$441
- +
Product Description
Catalog Number:
AG003BP6
Chemical Name:
(2S,3S)-2-Isocyanato-3-methylvaleric acid methyl ester
CAS Number:
120219-17-2
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD00191534
IUPAC Name:
methyl (2S,3S)-2-isocyanato-3-methylpentanoate
InChI:
InChI=1S/C8H13NO3/c1-4-6(2)7(9-5-10)8(11)12-3/h6-7H,4H2,1-3H3/t6-,7-/m0/s1
InChI Key:
OLHBZFKROSWSCI-BQBZGAKWSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)OC)N=C=O)C
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
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