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87073-31-2 | 2H,5H-[1]Benzopyrano[4,3-b]-1,4-oxazine-3-carboxylic acid, 5-oxo-
CAS No: 87073-31-2 Catalog No: AG004JD0 MDL No:
Product Description
Catalog Number:
AG004JD0
Chemical Name:
2H,5H-[1]Benzopyrano[4,3-b]-1,4-oxazine-3-carboxylic acid, 5-oxo-
CAS Number:
87073-31-2
Molecular Formula:
C12H7NO5
Molecular Weight:
245.1877
IUPAC Name:
5-oxo-2H-chromeno[4,3-b][1,4]oxazine-3-carboxylic acid
InChI:
InChI=1S/C12H7NO5/c14-11(15)7-5-17-10-6-3-1-2-4-8(6)18-12(16)9(10)13-7/h1-4H,5H2,(H,14,15)
InChI Key:
NYRAGJHNSUOCJW-UHFFFAOYSA-N
SMILES:
OC(=O)C1=Nc2c(OC1)c1ccccc1oc2=O
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.032g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.19g/mol
Monoisotopic Mass:
245.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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