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1354924-02-9 | 3-(3,4-dimethylphenyl)-1,2-oxazol-5-ol
CAS No: 1354924-02-9 Catalog No: AG00JSSD MDL No:MFCD21335010
Product Description
Catalog Number:
AG00JSSD
Chemical Name:
3-(3,4-dimethylphenyl)-1,2-oxazol-5-ol
CAS Number:
1354924-02-9
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD21335010
IUPAC Name:
3-(3,4-dimethylphenyl)-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C11H11NO2/c1-7-3-4-9(5-8(7)2)10-6-11(13)14-12-10/h3-6,12H,1-2H3
InChI Key:
HIGXMXZUZALSEC-UHFFFAOYSA-N
SMILES:
Oc1onc(c1)c1ccc(c(c1)C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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