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110193-51-6 | Phenol, 3-(2-ethyl-4,5-dihydro-5-oxazolyl)-
CAS No: 110193-51-6 Catalog No: AG007DT7 MDL No:
Product Description
Catalog Number:
AG007DT7
Chemical Name:
Phenol, 3-(2-ethyl-4,5-dihydro-5-oxazolyl)-
CAS Number:
110193-51-6
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
3-(2-ethyl-4,5-dihydro-1,3-oxazol-5-yl)phenol
InChI:
InChI=1S/C11H13NO2/c1-2-11-12-7-10(14-11)8-4-3-5-9(13)6-8/h3-6,10,13H,2,7H2,1H3
InChI Key:
IMYCDOWCYNWJQJ-UHFFFAOYSA-N
SMILES:
CCC1=NCC(O1)c1cccc(c1)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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