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1245647-37-3 | 1,2,4-Oxadiazole-3-carboxylic acid, 5-propyl-, ethyl ester
CAS No: 1245647-37-3 Catalog No: AG000MBZ MDL No:MFCD17011734
Product Description
Catalog Number:
AG000MBZ
Chemical Name:
1,2,4-Oxadiazole-3-carboxylic acid, 5-propyl-, ethyl ester
CAS Number:
1245647-37-3
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
MDL Number:
MFCD17011734
IUPAC Name:
ethyl 5-propyl-1,2,4-oxadiazole-3-carboxylate
InChI:
InChI=1S/C8H12N2O3/c1-3-5-6-9-7(10-13-6)8(11)12-4-2/h3-5H2,1-2H3
InChI Key:
VLOLVNJIFAVYRC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1noc(n1)CCC
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.195g/mol
Monoisotopic Mass:
184.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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