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13311-42-7 | 2-Quinolinepropanoic acid, α-(hydroxyimino)-, ethyl ester
CAS No: 13311-42-7 Catalog No: AG0014A1 MDL No:
Product Description
Catalog Number:
AG0014A1
Chemical Name:
2-Quinolinepropanoic acid, α-(hydroxyimino)-, ethyl ester
CAS Number:
13311-42-7
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
IUPAC Name:
ethyl 2-hydroxyimino-3-quinolin-2-ylpropanoate
InChI:
InChI=1S/C14H14N2O3/c1-2-19-14(17)13(16-18)9-11-8-7-10-5-3-4-6-12(10)15-11/h3-8,18H,2,9H2,1H3
InChI Key:
CTVQLBFIRMEBNQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=NO)Cc1ccc2c(n1)cccc2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.277g/mol
Monoisotopic Mass:
258.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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