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6497-24-1 | 1-(5-Methyl-3-phenylisoxazol-4-yl)ethanol
CAS No: 6497-24-1 Catalog No: AG00F3Y4 MDL No:MFCD16631269
Product Description
Catalog Number:
AG00F3Y4
Chemical Name:
1-(5-Methyl-3-phenylisoxazol-4-yl)ethanol
CAS Number:
6497-24-1
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD16631269
IUPAC Name:
1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethanol
InChI:
InChI=1S/C12H13NO2/c1-8(14)11-9(2)15-13-12(11)10-6-4-3-5-7-10/h3-8,14H,1-2H3
InChI Key:
DAQOOSLMUWKCQM-UHFFFAOYSA-N
SMILES:
CC(c1c(C)onc1c1ccccc1)O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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