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6975-44-6 | Ethyl 4,6-dihydroxynicotinate
CAS No: 6975-44-6 Catalog No: AG0033UD MDL No:MFCD03411738
Product Description
Catalog Number:
AG0033UD
Chemical Name:
Ethyl 4,6-dihydroxynicotinate
CAS Number:
6975-44-6
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD03411738
IUPAC Name:
ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C8H9NO4/c1-2-13-8(12)5-4-9-7(11)3-6(5)10/h3-4H,2H2,1H3,(H2,9,10,11)
InChI Key:
QDHHLXABEXNRJX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]c(=O)cc1O
NSC Number:
22486
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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