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1082329-59-6 | 5-Phenyl-1,2,4-oxadiazole-3-propanoic acid
CAS No: 1082329-59-6 Catalog No: AG003A13 MDL No:MFCD11584300
Product Description
Catalog Number:
AG003A13
Chemical Name:
5-Phenyl-1,2,4-oxadiazole-3-propanoic acid
CAS Number:
1082329-59-6
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD11584300
IUPAC Name:
3-(5-phenyl-1,2,4-oxadiazol-3-yl)propanoic acid
InChI:
InChI=1S/C11H10N2O3/c14-10(15)7-6-9-12-11(16-13-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
InChI Key:
CTMHSXDEWAAOKE-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1noc(n1)c1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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