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89770-38-7 | 3-Cinnolinecarboxylic acid, 7-ethyl-, ethyl ester
CAS No: 89770-38-7 Catalog No: AG00400U MDL No:
Product Description
Catalog Number:
AG00400U
Chemical Name:
3-Cinnolinecarboxylic acid, 7-ethyl-, ethyl ester
CAS Number:
89770-38-7
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
ethyl 7-ethylcinnoline-3-carboxylate
InChI:
InChI=1S/C13H14N2O2/c1-3-9-5-6-10-8-12(13(16)17-4-2)15-14-11(10)7-9/h5-8H,3-4H2,1-2H3
InChI Key:
YOHVJALXRBDDLV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnc2c(c1)ccc(c2)CC
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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