Home Other Building Blocks 1,3,4-Oxadiazole-2-acetic acid, methyl ester

1,3,4-Oxadiazole-2-acetic acid, methyl ester

CAS No.:
1363210-48-3
Catalog Number:
AG0011MZ
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
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Product Description
Catalog Number:
AG0011MZ
Chemical Name:
1,3,4-Oxadiazole-2-acetic acid, methyl ester
CAS Number:
1363210-48-3
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
MDL Number:
MFCD23378470
IUPAC Name:
methyl 2-(1,3,4-oxadiazol-2-yl)acetate
InChI:
InChI=1S/C5H6N2O3/c1-9-5(8)2-4-7-6-3-10-4/h3H,2H2,1H3
InChI Key:
FRRAYRPXMIBGSI-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1nnco1
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.038g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.114g/mol
Monoisotopic Mass:
142.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties