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24648-52-0 | 2H-3,1-Benzoxazine-1(4H)-acetic acid, 2,4-dioxo-
CAS No: 24648-52-0 Catalog No: AG002OXU MDL No:
Product Description
Catalog Number:
AG002OXU
Chemical Name:
2H-3,1-Benzoxazine-1(4H)-acetic acid, 2,4-dioxo-
CAS Number:
24648-52-0
Molecular Formula:
C10H7NO5
Molecular Weight:
221.1663
IUPAC Name:
2-(2,4-dioxo-3,1-benzoxazin-1-yl)acetic acid
InChI:
InChI=1S/C10H7NO5/c12-8(13)5-11-7-4-2-1-3-6(7)9(14)16-10(11)15/h1-4H,5H2,(H,12,13)
InChI Key:
CXRYHXNGBDHERE-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1c(=O)oc(=O)c2c1cccc2
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.032g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.168g/mol
Monoisotopic Mass:
221.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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