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245095-52-7 | 2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)acetonitrile
CAS No: 245095-52-7 Catalog No: AG019W17 MDL No:MFCD21984798
Product Description
Catalog Number:
AG019W17
Chemical Name:
2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)acetonitrile
CAS Number:
245095-52-7
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD21984798
IUPAC Name:
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetonitrile
InChI:
InChI=1S/C10H8N2O2/c1-12-8-6-7(4-5-11)2-3-9(8)14-10(12)13/h2-3,6H,4H2,1H3
InChI Key:
KUIGYCIIRCNSCQ-UHFFFAOYSA-N
SMILES:
N#CCc1ccc2c(c1)n(C)c(=O)o2
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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