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65156-74-3 | Ethanone,1-(3(2H)-benzoxazolyl)-
CAS No: 65156-74-3 Catalog No: AG006Q2Z MDL No:MFCD18826690
Product Description
Catalog Number:
AG006Q2Z
Chemical Name:
Ethanone,1-(3(2H)-benzoxazolyl)-
CAS Number:
65156-74-3
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD18826690
IUPAC Name:
1-(2H-1,3-benzoxazol-3-yl)ethanone
InChI:
InChI=1S/C9H9NO2/c1-7(11)10-6-12-9-5-3-2-4-8(9)10/h2-5H,6H2,1H3
InChI Key:
GOCLYMCZPRHITO-UHFFFAOYSA-N
SMILES:
CC(=O)N1COc2c1cccc2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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