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

(S)-2-Isocyanato-3-phenylpropionic acid methyl ester

CAS No.:
40203-94-9
Catalog Number:
AG003CL8
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$169
- +
5g
>97.0%(GC)
1 week
United States
$300
- +
25g
1 week
United States
$1385
- +
Product Description
Catalog Number:
AG003CL8
Chemical Name:
(S)-2-Isocyanato-3-phenylpropionic acid methyl ester
CAS Number:
40203-94-9
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD00191535
IUPAC Name:
methyl (2S)-2-isocyanato-3-phenylpropanoate
InChI:
InChI=1S/C11H11NO3/c1-15-11(14)10(12-8-13)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3/t10-/m0/s1
InChI Key:
JOTMMIYKEOOTNZ-JTQLQIEISA-N
SMILES:
COC(=O)[C@H](Cc1ccccc1)N=C=O
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties