Home Carboxys ethyl 5-(isocyanomethyl)-1,3-oxazole-4-carboxylate

ethyl 5-(isocyanomethyl)-1,3-oxazole-4-carboxylate

CAS No.:
72030-75-2
Catalog Number:
AG01EIPN
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
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Product Description
Catalog Number:
AG01EIPN
Chemical Name:
ethyl 5-(isocyanomethyl)-1,3-oxazole-4-carboxylate
CAS Number:
72030-75-2
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD31629091
IUPAC Name:
ethyl 5-(isocyanomethyl)-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C8H8N2O3/c1-3-12-8(11)7-6(4-9-2)13-5-10-7/h5H,3-4H2,1H3
InChI Key:
UNUGAZVWALMTOB-UHFFFAOYSA-N
SMILES:
[C-]#[N+]Cc1ocnc1C(=O)OCC
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.163g/mol
Monoisotopic Mass:
180.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties