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50878-77-8 | Ethyl 5-(dimethylamino)-1,3,4-oxadiazole-2-carboxylate
CAS No: 50878-77-8 Catalog No: AG01F83I MDL No:
Product Description
Catalog Number:
AG01F83I
Chemical Name:
Ethyl 5-(dimethylamino)-1,3,4-oxadiazole-2-carboxylate
CAS Number:
50878-77-8
Molecular Formula:
C7H11N3O3
Molecular Weight:
185.1805
IUPAC Name:
ethyl 5-(dimethylamino)-1,3,4-oxadiazole-2-carboxylate
InChI:
InChI=1S/C7H11N3O3/c1-4-12-6(11)5-8-9-7(13-5)10(2)3/h4H2,1-3H3
InChI Key:
RQCRGNGVGUZTPH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnc(o1)N(C)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.183g/mol
Monoisotopic Mass:
185.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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