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952182-97-7 | 1-(2-ethyl-1,3-benzoxazol-7-yl)ethan-1-one
CAS No: 952182-97-7 Catalog No: AG00IW6B MDL No:MFCD09152709
Product Description
Catalog Number:
AG00IW6B
Chemical Name:
1-(2-ethyl-1,3-benzoxazol-7-yl)ethan-1-one
CAS Number:
952182-97-7
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD09152709
IUPAC Name:
1-(2-ethyl-1,3-benzoxazol-7-yl)ethanone
InChI:
InChI=1S/C11H11NO2/c1-3-10-12-9-6-4-5-8(7(2)13)11(9)14-10/h4-6H,3H2,1-2H3
InChI Key:
IBFPEMOLCCKSKX-UHFFFAOYSA-N
SMILES:
CCc1nc2c(o1)c(ccc2)C(=O)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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