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1017273-31-2 | 2H-1,4-Benzoxazine-5-carboxylic acid, 3,4-dihydro-3-oxo-, methyl ester
CAS No: 1017273-31-2 Catalog No: AG0005BJ MDL No:
Product Description
Catalog Number:
AG0005BJ
Chemical Name:
2H-1,4-Benzoxazine-5-carboxylic acid, 3,4-dihydro-3-oxo-, methyl ester
CAS Number:
1017273-31-2
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
IUPAC Name:
methyl 3-oxo-4H-1,4-benzoxazine-5-carboxylate
InChI:
InChI=1S/C10H9NO4/c1-14-10(13)6-3-2-4-7-9(6)11-8(12)5-15-7/h2-4H,5H2,1H3,(H,11,12)
InChI Key:
GICYBPVXQLNXKH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1NC(=O)CO2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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