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100374-02-5 | 4-Cinnolinecarboxylic acid, 2-(dimethylamino)ethyl ester
CAS No: 100374-02-5 Catalog No: AG0001SV MDL No:
Product Description
Catalog Number:
AG0001SV
Chemical Name:
4-Cinnolinecarboxylic acid, 2-(dimethylamino)ethyl ester
CAS Number:
100374-02-5
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
IUPAC Name:
2-(dimethylamino)ethyl cinnoline-4-carboxylate
InChI:
InChI=1S/C13H15N3O2/c1-16(2)7-8-18-13(17)11-9-14-15-12-6-4-3-5-10(11)12/h3-6,9H,7-8H2,1-2H3
InChI Key:
LMBCZOJFWUKJNW-UHFFFAOYSA-N
SMILES:
CN(CCOC(=O)c1cnnc2c1cccc2)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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