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77919-03-0 | 5(4H)-Oxazolone, 2-(2-hydroxyphenyl)-4,4-dimethyl-
CAS No: 77919-03-0 Catalog No: AG0056IV MDL No:
Product Description
Catalog Number:
AG0056IV
Chemical Name:
5(4H)-Oxazolone, 2-(2-hydroxyphenyl)-4,4-dimethyl-
CAS Number:
77919-03-0
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
2-(2-hydroxyphenyl)-4,4-dimethyl-1,3-oxazol-5-one
InChI:
InChI=1S/C11H11NO3/c1-11(2)10(14)15-9(12-11)7-5-3-4-6-8(7)13/h3-6,13H,1-2H3
InChI Key:
IABPZDIOZASNFP-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1(C)C)c1ccccc1O
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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