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820963-98-2 | 1H,3H-Pyrrolo[1,2-c]oxazol-1-one, 3,3-dimethyl-
CAS No: 820963-98-2 Catalog No: AG0052JV MDL No:
Product Description
Catalog Number:
AG0052JV
Chemical Name:
1H,3H-Pyrrolo[1,2-c]oxazol-1-one, 3,3-dimethyl-
CAS Number:
820963-98-2
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
IUPAC Name:
3,3-dimethylpyrrolo[1,2-c][1,3]oxazol-1-one
InChI:
InChI=1S/C8H9NO2/c1-8(2)9-5-3-4-6(9)7(10)11-8/h3-5H,1-2H3
InChI Key:
SQOBZZMWNQYYOU-UHFFFAOYSA-N
SMILES:
O=C1OC(n2c1ccc2)(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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