methyl 1,3-benzoxazole-6-carboxylate


Chemical Name: methyl 1,3-benzoxazole-6-carboxylate
CAS Number: 1305711-40-3
Product Number: AG000UNN(AGN-PC-03CRJI)
Synonyms:
MDL No: MFCD14635902
Molecular Formula: C9H7NO3
Molecular Weight: 177.1568

Identification/Properties


Properties
BP:
272.4±13.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
177.159g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
177.043g/mol
Monoisotopic Mass:
177.043g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
207
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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