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


Chemical Name: 2H-1,4-Benzoxazine-2-carboxylic acid, 3,4-dihydro-, ethyl ester
CAS Number: 22244-22-0
Product Number: AG007P1N(AGN-PC-0JKLQN)
Synonyms:
MDL No:
Molecular Formula: C11H13NO3
Molecular Weight: 207.2258

Identification/Properties


Computed Properties
Molecular Weight:
207.229g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
207.09g/mol
Monoisotopic Mass:
207.09g/mol
Topological Polar Surface Area:
47.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
232
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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-H411
Precautionary Statements:
P273
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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