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1018293-21-4 | 4H-Pyrido[3,2-b]-1,4-oxazine-4-acetic acid, 2,3-dihydro-3-oxo-
CAS No: 1018293-21-4 Catalog No: AG0005N9 MDL No:MFCD10010797
Product Description
Catalog Number:
AG0005N9
Chemical Name:
4H-Pyrido[3,2-b]-1,4-oxazine-4-acetic acid, 2,3-dihydro-3-oxo-
CAS Number:
1018293-21-4
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
MDL Number:
MFCD10010797
IUPAC Name:
2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetic acid
InChI:
InChI=1S/C9H8N2O4/c12-7-5-15-6-2-1-3-10-9(6)11(7)4-8(13)14/h1-3H,4-5H2,(H,13,14)
InChI Key:
BMIBNAOWFBFGRN-UHFFFAOYSA-N
SMILES:
OC(=O)CN1C(=O)COc2c1nccc2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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