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933685-28-0 | 2-(2-phenylethyl)-1,3-thiazole-5-carbaldehyde
CAS No: 933685-28-0 Catalog No: AG01C1PZ MDL No:MFCD14654408
Product Description
Catalog Number:
AG01C1PZ
Chemical Name:
2-(2-phenylethyl)-1,3-thiazole-5-carbaldehyde
CAS Number:
933685-28-0
Molecular Formula:
C12H11NOS
Molecular Weight:
217.2868
MDL Number:
MFCD14654408
IUPAC Name:
2-(2-phenylethyl)-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C12H11NOS/c14-9-11-8-13-12(15-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChI Key:
VBKZDVNAQVOHPQ-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(s1)CCc1ccccc1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.286g/mol
Monoisotopic Mass:
217.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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