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88572-09-2 | Thiazole, 2-phenyl-4-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-
CAS No: 88572-09-2 Catalog No: AG004BVD MDL No:
Product Description
Catalog Number:
AG004BVD
Chemical Name:
Thiazole, 2-phenyl-4-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-
CAS Number:
88572-09-2
Molecular Formula:
C16H19NOS
Molecular Weight:
273.3932
IUPAC Name:
4-(2,2-dimethyloxan-4-yl)-2-phenyl-1,3-thiazole
InChI:
InChI=1S/C16H19NOS/c1-16(2)10-13(8-9-18-16)14-11-19-15(17-14)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChI Key:
GRRGGNOBBUTFIK-UHFFFAOYSA-N
SMILES:
CC1(C)OCCC(C1)c1csc(n1)c1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.119g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.394g/mol
Monoisotopic Mass:
273.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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