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13794-28-0 | Propanoic acid, 2-isocyanato-, ethyl ester
CAS No: 13794-28-0 Catalog No: AG0017PC MDL No:MFCD00078449
Product Description
Catalog Number:
AG0017PC
Chemical Name:
Propanoic acid, 2-isocyanato-, ethyl ester
CAS Number:
13794-28-0
Molecular Formula:
C6H9NO3
Molecular Weight:
143.1406
MDL Number:
MFCD00078449
IUPAC Name:
ethyl 2-isocyanatopropanoate
InChI:
InChI=1S/C6H9NO3/c1-3-10-6(9)5(2)7-4-8/h5H,3H2,1-2H3
InChI Key:
PFIQRPNWLUAMOF-UHFFFAOYSA-N
SMILES:
CC(C(=O)OCC)N=C=O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.142g/mol
Monoisotopic Mass:
143.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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