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26494-55-3 | 4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-
CAS No: 26494-55-3 Catalog No: AG002TGL MDL No:MFCD00269587
Product Description
Catalog Number:
AG002TGL
Chemical Name:
4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-
CAS Number:
26494-55-3
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
MDL Number:
MFCD00269587
IUPAC Name:
2-(3-oxo-1,4-benzoxazin-4-yl)acetic acid
InChI:
InChI=1S/C10H9NO4/c12-9-6-15-8-4-2-1-3-7(8)11(9)5-10(13)14/h1-4H,5-6H2,(H,13,14)
InChI Key:
POGLODLVBYOXAO-UHFFFAOYSA-N
SMILES:
OC(=O)CN1C(=O)COc2c1cccc2
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:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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