6-Benzoxazolecarboxylic acid, 2-methyl-


Chemical Name: 6-Benzoxazolecarboxylic acid, 2-methyl-
CAS Number: 13452-14-7
Product Number: AG003HKW(AGN-PC-01WKJI)
Synonyms:
MDL No: MFCD07787266
Molecular Formula: C9H7NO3
Molecular Weight: 177.1568

Identification/Properties


Properties
MP:
>230°C (dec.)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
177.159g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
177.043g/mol
Monoisotopic Mass:
177.043g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
219
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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