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1781628-40-7 | 4-(2-hydroxyphenyl)-1,3-oxazol-2-ol
CAS No: 1781628-40-7 Catalog No: AG01FKUT MDL No:
Product Description
Catalog Number:
AG01FKUT
Chemical Name:
4-(2-hydroxyphenyl)-1,3-oxazol-2-ol
CAS Number:
1781628-40-7
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
IUPAC Name:
4-(2-hydroxyphenyl)-3H-1,3-oxazol-2-one
InChI:
InChI=1S/C9H7NO3/c11-8-4-2-1-3-6(8)7-5-13-9(12)10-7/h1-5,11H,(H,10,12)
InChI Key:
KZNWNUDSLZVELQ-UHFFFAOYSA-N
SMILES:
Oc1occ(n1)c1ccccc1O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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