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1256818-31-1 | 1,4-Dioxino[2,3-b]pyridine-7-carboxylic acid, 2,3-dihydro-
CAS No: 1256818-31-1 Catalog No: AG000OFD MDL No:MFCD18250788
Product Description
Catalog Number:
AG000OFD
Chemical Name:
1,4-Dioxino[2,3-b]pyridine-7-carboxylic acid, 2,3-dihydro-
CAS Number:
1256818-31-1
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD18250788
IUPAC Name:
2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxylic acid
InChI:
InChI=1S/C8H7NO4/c10-8(11)5-3-6-7(9-4-5)13-2-1-12-6/h3-4H,1-2H2,(H,10,11)
InChI Key:
GJMRZEFOMRCYBI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1)OCCO2
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
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