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21892-80-8 | 3-Methylbenzo[d]oxazol-2(3H)-one
CAS No: 21892-80-8 Catalog No: AG003JP2 MDL No:MFCD00748831
Product Description
Catalog Number:
AG003JP2
Chemical Name:
3-Methylbenzo[d]oxazol-2(3H)-one
CAS Number:
21892-80-8
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD00748831
IUPAC Name:
3-methyl-1,3-benzoxazol-2-one
InChI:
InChI=1S/C8H7NO2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3
InChI Key:
QRMRRLXXFHXMBC-UHFFFAOYSA-N
SMILES:
Cn1c(=O)oc2c1cccc2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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