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1354916-88-3 | 3-(2-methylphenyl)-1,2-oxazol-5-ol
CAS No: 1354916-88-3 Catalog No: AG00JSRF MDL No:MFCD21334948
Product Description
Catalog Number:
AG00JSRF
Chemical Name:
3-(2-methylphenyl)-1,2-oxazol-5-ol
CAS Number:
1354916-88-3
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD21334948
IUPAC Name:
3-(2-methylphenyl)-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C10H9NO2/c1-7-4-2-3-5-8(7)9-6-10(12)13-11-9/h2-6,11H,1H3
InChI Key:
JLBWEBALKCRFKQ-UHFFFAOYSA-N
SMILES:
Oc1onc(c1)c1ccccc1C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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