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17762-13-9 | 3-Cinnolinecarboxylic acid, 4-hydroxy-, methyl ester
CAS No: 17762-13-9 Catalog No: AG0025FU MDL No:MFCD21090648
Product Description
Catalog Number:
AG0025FU
Chemical Name:
3-Cinnolinecarboxylic acid, 4-hydroxy-, methyl ester
CAS Number:
17762-13-9
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD21090648
IUPAC Name:
methyl 4-oxo-1H-cinnoline-3-carboxylate
InChI:
InChI=1S/C10H8N2O3/c1-15-10(14)8-9(13)6-4-2-3-5-7(6)11-12-8/h2-5H,1H3,(H,11,13)
InChI Key:
RVNSWWNJUGEWOR-UHFFFAOYSA-N
SMILES:
COC(=O)c1nnc2c(c1O)cccc2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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