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Home > Thiazole > 2060063-27-4
2060063-27-4 | 5-(2-formyl-1,3-thiazol-5-yl)-2-methylbenzoic acid
CAS No: 2060063-27-4 Catalog No: AG01BRYY MDL No:MFCD30535967
Product Description
Catalog Number:
AG01BRYY
Chemical Name:
5-(2-formyl-1,3-thiazol-5-yl)-2-methylbenzoic acid
CAS Number:
2060063-27-4
Molecular Formula:
C12H9NO3S
Molecular Weight:
247.2698
MDL Number:
MFCD30535967
IUPAC Name:
5-(2-formyl-1,3-thiazol-5-yl)-2-methylbenzoic acid
InChI:
InChI=1S/C12H9NO3S/c1-7-2-3-8(4-9(7)12(15)16)10-5-13-11(6-14)17-10/h2-6H,1H3,(H,15,16)
InChI Key:
NNUUIOOOMNZXLI-UHFFFAOYSA-N
SMILES:
O=Cc1ncc(s1)c1ccc(c(c1)C(=O)O)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.268g/mol
Monoisotopic Mass:
247.03g/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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