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87978-54-9 | 1-Propanone, 1-(2-benzoxazolyl)-2,2-dimethyl-
CAS No: 87978-54-9 Catalog No: AG004OUL MDL No:
Product Description
Catalog Number:
AG004OUL
Chemical Name:
1-Propanone, 1-(2-benzoxazolyl)-2,2-dimethyl-
CAS Number:
87978-54-9
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
1-(1,3-benzoxazol-2-yl)-2,2-dimethylpropan-1-one
InChI:
InChI=1S/C12H13NO2/c1-12(2,3)10(14)11-13-8-6-4-5-7-9(8)15-11/h4-7H,1-3H3
InChI Key:
SNOLWRKKMWALBR-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)c1nc2c(o1)cccc2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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