4-Benzoxazolecarboxylic acid, methyl ester


Chemical Name: 4-Benzoxazolecarboxylic acid, methyl ester
CAS Number: 128156-54-7
Product Number: AG000XUO(AGN-PC-001ZBC)
Synonyms:
MDL No:
Molecular Formula: C9H7NO3
Molecular Weight: 177.1568

Identification/Properties


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

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NMR Spectrum


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