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19813-40-2 | 1,3,4-Oxadiazole-2-acetic acid
CAS No: 19813-40-2 Catalog No: AG002BAZ MDL No:MFCD19229331
Product Description
Catalog Number:
AG002BAZ
Chemical Name:
1,3,4-Oxadiazole-2-acetic acid
CAS Number:
19813-40-2
Molecular Formula:
C4H4N2O3
Molecular Weight:
128.0862
MDL Number:
MFCD19229331
IUPAC Name:
2-(1,3,4-oxadiazol-2-yl)acetic acid
InChI:
InChI=1S/C4H4N2O3/c7-4(8)1-3-6-5-2-9-3/h2H,1H2,(H,7,8)
InChI Key:
ULWQCKFXIGLLKA-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1nnco1
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.022g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.087g/mol
Monoisotopic Mass:
128.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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