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115299-07-5 | 4-Thiazolecarboxylic acid, 2-(3-Methoxyphenyl)-
CAS No: 115299-07-5 Catalog No: AG000GKA MDL No:MFCD07375294
Product Description
Catalog Number:
AG000GKA
Chemical Name:
4-Thiazolecarboxylic acid, 2-(3-Methoxyphenyl)-
CAS Number:
115299-07-5
Molecular Formula:
C11H9NO3S
Molecular Weight:
235.2591
MDL Number:
MFCD07375294
IUPAC Name:
2-(3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C11H9NO3S/c1-15-8-4-2-3-7(5-8)10-12-9(6-16-10)11(13)14/h2-6H,1H3,(H,13,14)
InChI Key:
AQWFWIIMHLYERJ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1scc(n1)C(=O)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.257g/mol
Monoisotopic Mass:
235.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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