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320424-51-9 | (1Z)-2-(4-hydroxy-1,3-thiazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-one
CAS No: 320424-51-9 Catalog No: AG00IWWH MDL No:MFCD00138174
Product Description
Catalog Number:
AG00IWWH
Chemical Name:
(1Z)-2-(4-hydroxy-1,3-thiazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-one
CAS Number:
320424-51-9
Molecular Formula:
C16H17NO2S
Molecular Weight:
287.3767
MDL Number:
MFCD00138174
IUPAC Name:
2-(4-hydroxy-1,3-thiazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-one
InChI:
InChI=1S/C16H17NO2S/c1-16(2,3)14(19)12(15-17-13(18)10-20-15)9-11-7-5-4-6-8-11/h4-10,18H,1-3H3
InChI Key:
OZPKDGIDZZTWHO-UHFFFAOYSA-N
SMILES:
Oc1csc(n1)/C(=C\c1ccccc1)/C(=O)C(C)(C)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.098g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.377g/mol
Monoisotopic Mass:
287.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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