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565206-91-9 | (2E)-3-(2-Methoxyquinolin-3-yl)acrylic acid
CAS No: 565206-91-9 Catalog No: AG00IA36 MDL No:MFCD04610243
Product Description
Catalog Number:
AG00IA36
Chemical Name:
(2E)-3-(2-Methoxyquinolin-3-yl)acrylic acid
CAS Number:
565206-91-9
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD04610243
IUPAC Name:
(E)-3-(2-methoxyquinolin-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C13H11NO3/c1-17-13-10(6-7-12(15)16)8-9-4-2-3-5-11(9)14-13/h2-8H,1H3,(H,15,16)/b7-6+
InChI Key:
FYWLPUONLPZDPD-VOTSOKGWSA-N
SMILES:
COc1nc2ccccc2cc1C=CC(=O)O
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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