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122433-29-8 | Ethanone, 1-(2-benzoxazolyl)-
CAS No: 122433-29-8 Catalog No: AG00177Y MDL No:MFCD00223823
Product Description
Catalog Number:
AG00177Y
Chemical Name:
Ethanone, 1-(2-benzoxazolyl)-
CAS Number:
122433-29-8
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD00223823
IUPAC Name:
1-(1,3-benzoxazol-2-yl)ethanone
InChI:
InChI=1S/C9H7NO2/c1-6(11)9-10-7-4-2-3-5-8(7)12-9/h2-5H,1H3
InChI Key:
ZCNHSDWCQINSDF-UHFFFAOYSA-N
SMILES:
CC(=O)c1nc2c(o1)cccc2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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