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820964-03-2 | 1H,3H-Pyrrolo[1,2-c]oxazol-1-one, 3,3-diethyl-
CAS No: 820964-03-2 Catalog No: AG005C57 MDL No:
Product Description
Catalog Number:
AG005C57
Chemical Name:
1H,3H-Pyrrolo[1,2-c]oxazol-1-one, 3,3-diethyl-
CAS Number:
820964-03-2
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
3,3-diethylpyrrolo[1,2-c][1,3]oxazol-1-one
InChI:
InChI=1S/C10H13NO2/c1-3-10(4-2)11-7-5-6-8(11)9(12)13-10/h5-7H,3-4H2,1-2H3
InChI Key:
NOCKIGRJZPPYJF-UHFFFAOYSA-N
SMILES:
CCC1(CC)OC(=O)c2n1ccc2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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