200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 890647-84-4
890647-84-4 | (E)-3-(6-methoxy-1-methyl-2-oxo-1,2-dihydro-3-quinolinyl)-2-propenoic acid
CAS No: 890647-84-4 Catalog No: AG00J9FM MDL No:MFCD08059613
Product Description
Catalog Number:
AG00J9FM
Chemical Name:
(E)-3-(6-methoxy-1-methyl-2-oxo-1,2-dihydro-3-quinolinyl)-2-propenoic acid
CAS Number:
890647-84-4
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
MDL Number:
MFCD08059613
IUPAC Name:
(E)-3-(6-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C14H13NO4/c1-15-12-5-4-11(19-2)8-10(12)7-9(14(15)18)3-6-13(16)17/h3-8H,1-2H3,(H,16,17)/b6-3+
InChI Key:
HCQDEZBVPONVNF-ZZXKWVIFSA-N
SMILES:
COc1ccc2c(c1)cc(c(=O)n2C)/C=C/C(=O)O
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
259.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.261g/mol
Monoisotopic Mass:
259.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.