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53949-09-0 | 3-(4-methoxyphenyl)-1,2-oxazol-5-ol
CAS No: 53949-09-0 Catalog No: AG00JSR8 MDL No:MFCD09962171
Product Description
Catalog Number:
AG00JSR8
Chemical Name:
3-(4-methoxyphenyl)-1,2-oxazol-5-ol
CAS Number:
53949-09-0
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD09962171
IUPAC Name:
3-(4-methoxyphenyl)-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C10H9NO3/c1-13-8-4-2-7(3-5-8)9-6-10(12)14-11-9/h2-6,11H,1H3
InChI Key:
BNNYWWWHXRXHGK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1noc(c1)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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