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88975-98-8 | Benzeneacetic acid, 2-(2-thiazolyloxy)-
CAS No: 88975-98-8 Catalog No: AG0046IR MDL No:
Product Description
Catalog Number:
AG0046IR
Chemical Name:
Benzeneacetic acid, 2-(2-thiazolyloxy)-
CAS Number:
88975-98-8
Molecular Formula:
C11H9NO3S
Molecular Weight:
235.2591
IUPAC Name:
2-[2-(1,3-thiazol-2-yloxy)phenyl]acetic acid
InChI:
InChI=1S/C11H9NO3S/c13-10(14)7-8-3-1-2-4-9(8)15-11-12-5-6-16-11/h1-6H,7H2,(H,13,14)
InChI Key:
NNOYRCHKCHKKOV-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccccc1Oc1nccs1
Properties
Complexity:
249
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:
4
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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