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


Chemical Name: methyl 5-amino-1,3-benzoxazole-2-carboxylate
CAS Number: 1035093-77-6
Product Number: AG0085NF(AGN-PC-01XTB1)
Synonyms:
MDL No:
Molecular Formula: C9H8N2O3
Molecular Weight: 192.1714

Identification/Properties


Computed Properties
Molecular Weight:
192.174g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
192.053g/mol
Monoisotopic Mass:
192.053g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
234
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

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NMR Spectrum


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