methyl 2-propyl-1,3-benzoxazole-5-carboxylate


Chemical Name: methyl 2-propyl-1,3-benzoxazole-5-carboxylate
CAS Number: 924869-24-9
Product Number: AG00IH62(AGN-PC-01XG31)
Synonyms:
MDL No:
Molecular Formula: C12H13NO3
Molecular Weight: 219.2365

Identification/Properties


Computed Properties
Molecular Weight:
219.24g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
219.09g/mol
Monoisotopic Mass:
219.09g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
257
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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