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556016-27-4 | 3-(2-ethoxyquinolin-3-yl)prop-2-enoic acid
CAS No: 556016-27-4 Catalog No: AG019PMY MDL No:MFCD04610246
Product Description
Catalog Number:
AG019PMY
Chemical Name:
3-(2-ethoxyquinolin-3-yl)prop-2-enoic acid
CAS Number:
556016-27-4
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
MDL Number:
MFCD04610246
IUPAC Name:
3-(2-ethoxyquinolin-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C14H13NO3/c1-2-18-14-11(7-8-13(16)17)9-10-5-3-4-6-12(10)15-14/h3-9H,2H2,1H3,(H,16,17)
InChI Key:
NWIXTYOMOKXFNS-UHFFFAOYSA-N
SMILES:
CCOc1nc2ccccc2cc1C=CC(=O)O
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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