Home Carboxys 6-Cinnolinecarboxylic acid, methyl ester

6-Cinnolinecarboxylic acid, methyl ester

CAS No.:
318276-74-3
Catalog Number:
AG00I617
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
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Product Description
Catalog Number:
AG00I617
Chemical Name:
6-Cinnolinecarboxylic acid, methyl ester
CAS Number:
318276-74-3
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD20528017
IUPAC Name:
methyl cinnoline-6-carboxylate
InChI:
InChI=1S/C10H8N2O2/c1-14-10(13)8-2-3-9-7(6-8)4-5-11-12-9/h2-6H,1H3
InChI Key:
JMLKGGQGRGKUFU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)ccnn2
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties