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88469-72-1 | 5-Thiazolecarboxylic acid, 4-formyl-2-phenyl-
CAS No: 88469-72-1 Catalog No: AG0049SC MDL No:
Product Description
Catalog Number:
AG0049SC
Chemical Name:
5-Thiazolecarboxylic acid, 4-formyl-2-phenyl-
CAS Number:
88469-72-1
Molecular Formula:
C11H7NO3S
Molecular Weight:
233.2432
IUPAC Name:
4-formyl-2-phenyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C11H7NO3S/c13-6-8-9(11(14)15)16-10(12-8)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChI Key:
MJJMTRHNUSGGEH-UHFFFAOYSA-N
SMILES:
O=Cc1nc(sc1C(=O)O)c1ccccc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.015g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.241g/mol
Monoisotopic Mass:
233.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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