Home Carboxys 1,3-Dioxolo[4,5-c]pyridine-6-carboxylicacid(9CI)

1,3-Dioxolo[4,5-c]pyridine-6-carboxylicacid(9CI)

CAS No.:
521278-13-7
Catalog Number:
AG00DJ9E
Molecular Formula:
C7H5NO4
Molecular Weight:
167.1189
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Product Description
Catalog Number:
AG00DJ9E
Chemical Name:
1,3-Dioxolo[4,5-c]pyridine-6-carboxylicacid(9CI)
CAS Number:
521278-13-7
Molecular Formula:
C7H5NO4
Molecular Weight:
167.1189
MDL Number:
MFCD18260652
IUPAC Name:
[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid
InChI:
InChI=1S/C7H5NO4/c9-7(10)4-1-5-6(2-8-4)12-3-11-5/h1-2H,3H2,(H,9,10)
InChI Key:
AZRROJDKRCFGNS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncc2c(c1)OCO2
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.022g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.12g/mol
Monoisotopic Mass:
167.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties