Home Carboxys 1,4-Dioxino[2,3-b]pyridine-8-carboxylic acid, 2,3-dihydro-

1,4-Dioxino[2,3-b]pyridine-8-carboxylic acid, 2,3-dihydro-

CAS No.:
1228665-94-8
Catalog Number:
AG000JNW
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
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Product Description
Catalog Number:
AG000JNW
Chemical Name:
1,4-Dioxino[2,3-b]pyridine-8-carboxylic acid, 2,3-dihydro-
CAS Number:
1228665-94-8
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD16628209
IUPAC Name:
2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxylic acid
InChI:
InChI=1S/C8H7NO4/c10-8(11)5-1-2-9-7-6(5)12-3-4-13-7/h1-2H,3-4H2,(H,10,11)
InChI Key:
YUYPCIREYQUIAA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc2c1OCCO2
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties