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120-15-0 | Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
CAS No: 120-15-0 Catalog No: AG000Q07 MDL No:MFCD00090494
Product Description
Catalog Number:
AG000Q07
Chemical Name:
Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
CAS Number:
120-15-0
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
MDL Number:
MFCD00090494
IUPAC Name:
6-methoxy-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C10H13NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3
InChI Key:
FRXSZNDVFUDTIR-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCCN2
EC Number:
204-374-8
NSC Number:
49188
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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