2H-1,4-Benzoxazine-6-carboxylic acid, 3,4-dihydro-, methyl ester


Chemical Name: 2H-1,4-Benzoxazine-6-carboxylic acid, 3,4-dihydro-, methyl ester
CAS Number: 758684-29-6
Product Number: AG008P5F(AGN-PC-00VAIE)
Synonyms:
MDL No:
Molecular Formula: C10H11NO3
Molecular Weight: 193.1992

Identification/Properties


Computed Properties
Molecular Weight:
193.202g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
193.074g/mol
Monoisotopic Mass:
193.074g/mol
Topological Polar Surface Area:
47.6A^2
Heavy Atom Count:
14
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

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NMR Spectrum


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