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134997-87-8 | 3-oxo-3,4-dihydro-2h-benzo[b][1,4]oxazine-6-carboxylic Acid
CAS No: 134997-87-8 Catalog No: AG0038XY MDL No:MFCD03036647
Product Description
Catalog Number:
AG0038XY
Chemical Name:
3-oxo-3,4-dihydro-2h-benzo[b][1,4]oxazine-6-carboxylic Acid
CAS Number:
134997-87-8
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
MDL Number:
MFCD03036647
IUPAC Name:
3-oxo-4H-1,4-benzoxazine-6-carboxylic acid
InChI:
InChI=1S/C9H7NO4/c11-8-4-14-7-2-1-5(9(12)13)3-6(7)10-8/h1-3H,4H2,(H,10,11)(H,12,13)
InChI Key:
CIYUDMUBYRVMLP-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cc(cc2)C(=O)O
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.158g/mol
Monoisotopic Mass:
193.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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